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canSAR1205838
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C(C(=O)OC[C@H]2CC[C@@](/C=C\O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(CO)[C@@H](O)C2)\C(=C/c2ccc(OC)c(OC)c2)C(=O)OC[C@H]2CC[C@](CO)(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C2)cc1
    InChI
    InChI=1S/C53H74O23/c1-68-33-7-4-29(5-8-33)18-34(48(66)73-25-31-10-12-52(27-56,40(58)21-31)14-16-71-50-46(64)44(62)42(60)38(23-54)75-50)35(19-30-6-9-36(69-2)37(20-30)70-3)49(67)74-26-32-11-13-53(28-57,41(59)22-32)15-17-72-51-47(65)45(63)43(61)39(24-55)76-51/h4-9,14,16,18-20,31-32,38-47,50-51,54-65H,10-13,15,17,21-28H2,1-3H3/b16-14-,34-18+,35-19+/t31-,32-,38+,39+,40-,41-,42+,43+,44-,45-,46+,47+,50+,51+,52+,53+/m0/s1
    MOLECULAR FORMULA
    C53H74O23
    CROSS REFERENCES
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    canSAR1205838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1078.46
    AlogP -0.92
    HBond donors 12
    HBond acceptors 23
    Atoms 150
    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 canSAR1205838.