NMPC 1212-Lucyoside B (13518118)
 OpenBabel01112406083D

125131  0  0  1  0  0  0  0  0999 V2000
    5.2480   -5.5544   10.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8512   -6.0350   10.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8809   -1.0995   11.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769   -3.1924    1.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0125   -2.2248    2.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5970   -7.8744   10.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7232   -8.0317   11.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8477   -5.6429    1.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038   -5.9823    8.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353   -9.1085    7.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6661   -5.2805    0.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2614   -7.0400    3.7053 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1743   -9.7277    8.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540   -7.8856    0.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -6.7610    3.2787 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6305   -3.0767    5.6983 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4670   -4.4102    7.9545 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8691   -3.9212    6.6805 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5147   -2.8025    4.6069 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8412   -3.1714    8.8108 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2031   -1.8761    6.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -3.3934   10.2759 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8119   -1.8021    8.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988   -1.8370    5.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6883   -5.2980    8.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064   -3.2398    7.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3210   -0.6166    4.3726 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0808   -2.4464    3.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1886   -0.8088    2.8387 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5839   -4.9962   10.6789 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8041   -3.8675    5.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6223   -1.1967    2.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5756   -5.7981    9.6643 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2934   -5.3732    8.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747   -2.1307    6.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278   -4.0217    4.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.4492    5.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    0.6534    2.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    1.7905    4.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148   -2.4955   11.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340   -2.9548   10.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    1.9467    3.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1841   -2.1263    2.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222    2.8664    5.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6406    1.8630    5.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547   -6.9228   11.0117 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3053   -6.9752   10.7791 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7022   -4.7628    1.9134 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8325   -7.2185    9.3321 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9588   -8.7040    9.2775 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7817   -8.0879    8.4953 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1774   -5.3974    1.8323 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3223   -6.8698    2.2842 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0660   -9.0855    8.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689   -7.0377    1.6853 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2672   -7.7070    1.5883 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3352   -7.2084    3.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7516   -4.8480    6.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332   -3.2001    8.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463   -0.9306    5.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3002   -1.9104    6.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554   -1.2832    8.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5522   -1.1192    8.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6485   -4.7957    8.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969   -6.1442    7.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -3.9932    7.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662   -2.7992    8.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434   -0.2496    4.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1589   -2.5352    3.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7464   -3.1948    2.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359   -5.0283   11.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5058   -4.2376    5.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4526   -4.7263    4.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4044   -3.2361    4.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3430   -0.3992    2.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6846   -1.3534    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176   -6.8082    9.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   -5.7751    7.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5853   -6.2933    8.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4951   -4.9280    8.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429   -1.5691    6.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0121   -4.8631    4.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0650   -4.5251    5.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940   -3.6774    4.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    0.4193    4.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    0.3295    6.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692    0.6961    1.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6727    0.8502    1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8029   -2.7273   12.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1890   -2.6695   11.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654   -1.9190   10.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0836   -3.5448    9.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493   -3.0291   11.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    2.5481    3.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100    2.5641    2.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7127   -6.7867   10.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4838    2.6453    6.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650    3.8577    5.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616    2.9127    5.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3732    1.3350    4.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0001    2.8958    5.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    1.4438    6.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0529   -7.1477   12.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203   -0.8826   10.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -6.0334   11.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139   -4.8418    2.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614   -7.7237    9.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -9.6192    9.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623   -7.5177    7.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340   -4.9007    2.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648   -7.8434   11.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3254   -7.2082    1.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6871   -9.7508    7.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -8.1961    7.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913   -7.5883    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406   -8.7055    2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169   -6.1605    7.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5322   -9.6150    8.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6871   -4.3215    0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572   -8.2685    3.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -6.6762    3.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816   -7.8950    3.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -9.0589    9.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9843   -7.0177   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819   -5.8145    3.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 96  1  0  0  0  0
  3 40  1  0  0  0  0
  3104  1  0  0  0  0
  4 43  1  0  0  0  0
  5 43  2  0  0  0  0
  6 46  1  0  0  0  0
  6 50  1  0  0  0  0
  7111  1  0  0  0  0
  8 48  1  0  0  0  0
  8 55  1  0  0  0  0
  9117  1  0  0  0  0
 10118  1  0  0  0  0
 11119  1  0  0  0  0
 12122  1  0  0  0  0
 13 54  1  0  0  0  0
 13123  1  0  0  0  0
 14124  1  0  0  0  0
 15 57  1  0  0  0  0
 15125  1  0  0  0  0
 16 18  1  1  0  0  0
 16 21  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  6  0  0  0
 17 25  1  0  0  0  0
 17 34  1  0  0  0  0
 18 26  1  0  0  0  0
 18 58  1  6  0  0  0
 19 16  1  1  0  0  0
 19 24  1  0  0  0  0
 19 28  1  0  0  0  0
 19 36  1  0  0  0  0
 20 17  1  6  0  0  0
 20 23  1  0  0  0  0
 20 59  1  0  0  0  0
 21 23  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 20  1  6  0  0  0
 22 41  1  0  0  0  0
 22 40  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 27  1  0  0  0  0
 24 35  2  0  0  0  0
 25 33  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 35  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 29  1  6  0  0  0
 27 37  1  0  0  0  0
 27 68  1  0  0  0  0
 28 32  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 32  1  0  0  0  0
 29 38  1  0  0  0  0
 29 43  1  6  0  0  0
 30 22  1  6  0  0  0
 30 71  1  0  0  0  0
 30  1  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 33  2  1  0  0  0  0
 33 30  1  1  0  0  0
 33 77  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
 34 80  1  0  0  0  0
 35 81  1  0  0  0  0
 36 82  1  0  0  0  0
 36 83  1  0  0  0  0
 36 84  1  0  0  0  0
 37 39  1  0  0  0  0
 37 85  1  0  0  0  0
 37 86  1  0  0  0  0
 38 42  1  0  0  0  0
 38 87  1  0  0  0  0
 38 88  1  0  0  0  0
 39 42  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  0  0  0  0
 40 89  1  0  0  0  0
 40 90  1  0  0  0  0
 41 91  1  0  0  0  0
 41 92  1  0  0  0  0
 41 93  1  0  0  0  0
 42 94  1  0  0  0  0
 42 95  1  0  0  0  0
 44 97  1  0  0  0  0
 44 98  1  0  0  0  0
 44 99  1  0  0  0  0
 45100  1  0  0  0  0
 45101  1  0  0  0  0
 45102  1  0  0  0  0
 46  1  1  0  0  0  0
 46 47  1  6  0  0  0
 46103  1  0  0  0  0
 47  7  1  0  0  0  0
 47 49  1  6  0  0  0
 47105  1  0  0  0  0
 48  4  1  0  0  0  0
 48 52  1  1  0  0  0
 48106  1  0  0  0  0
 49 51  1  6  0  0  0
 49107  1  0  0  0  0
 49  9  1  0  0  0  0
 50 51  1  6  0  0  0
 50 54  1  0  0  0  0
 50108  1  0  0  0  0
 51 10  1  0  0  0  0
 51109  1  6  0  0  0
 52 11  1  0  0  0  0
 52 53  1  1  0  0  0
 52110  1  0  0  0  0
 53 56  1  6  0  0  0
 53112  1  0  0  0  0
 53 12  1  0  0  0  0
 54113  1  0  0  0  0
 54114  1  0  0  0  0
 55 56  1  6  0  0  0
 55 57  1  0  0  0  0
 55115  1  0  0  0  0
 56 14  1  0  0  0  0
 56116  1  1  0  0  0
 57120  1  0  0  0  0
 57121  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
1

>  <PUBCHEM_COMPOUND_CID>
13518118

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
1540

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
15

>  <PUBCHEM_CACTVS_HBOND_DONOR>
10

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAAAAAAgAAAACAEAAAgREBIAAQAiQAAFgAAPAAPI6PyPgAAAAAAAAADAAAYAADCAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

>  <PUBCHEM_IUPAC_CAS_NAME>
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4<I>a</I><I>S</I>,6<I>a</I><I>R</I>,6<I>a</I><I>S</I>,6<I>b</I><I>R</I>,8<I>a</I><I>R</I>,9<I>R</I>,10<I>R</I>,11<I>R</I>,12<I>a</I><I>R</I>,14<I>b</I><I>S</I>)-11-hydroxy-9-(hydroxymethyl)-2,2,6<I>a</I>,6<I>b</I>,9,12<I>a</I>-hexamethyl-10-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6<I>a</I>,7,8,8<I>a</I>,10,11,12,13,14<I>b</I>-tetradecahydropicene-4<I>a</I>-carboxylate

>  <PUBCHEM_IUPAC_NAME>
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-9-(hydroxymethyl)-10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-11-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C42H68O15/c1-37(2)11-13-42(36(53)57-35-32(52)30(50)28(48)24(18-44)55-35)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)56-34-31(51)29(49)27(47)23(17-43)54-34/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
ZUILGDNVKPMVIA-QDZACNFGSA-N

>  <PUBCHEM_XLOGP3_AA>
1.9

>  <PUBCHEM_EXACT_MASS>
812.45582146

>  <PUBCHEM_MOLECULAR_FORMULA>
C42H68O15

>  <PUBCHEM_MOLECULAR_WEIGHT>
813.0

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C

>  <PUBCHEM_CACTVS_TPSA>
256

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
812.45582146

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
57

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
20

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
30  1  5
46  1  5
51  10  6
52  11  5
53  12  6
56  14  5
16  31  5
17  34  5
18  58  6
19  36  6
33  2  6
20  59  6
22  41  5
27  68  5
29  43  5
48  4  6
50  54  5
55  57  6
47  7  6
49  9  5

$$$$
