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canSAR993282
FEATURES
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NAMES
    SMILES
    C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)C[C@]12CC[C@@H](C)CO2
    InChI
    InChI=1S/C40H66O12/c1-19-7-12-40(48-18-19)15-21-13-26-24-6-5-22-14-23(8-10-38(22,3)25(24)9-11-39(26,4)29(21)20(40)2)49-36-34(47)32(45)35(28(17-42)51-36)52-37-33(46)31(44)30(43)27(16-41)50-37/h19-37,41-47H,5-18H2,1-4H3/t19-,20+,21-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36+,37-,38+,39+,40-/m1/s1
    MOLECULAR FORMULA
    C40H66O12
    CROSS REFERENCES
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    canSAR993282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.46
    AlogP 2.11
    HBond donors 7
    HBond acceptors 12
    Atoms 118
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR993282.