canSAR2093285
FEATURES
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NAMES
    SMILES
    CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H](O)[C@@H]4O)C1
    InChI
    InChI=1S/C28H40O9/c1-14-13-18(37-22(32)15(14)2)25(5,33)28(36)12-11-26(34)19-16(8-10-23(26,28)3)24(4)17(29)7-6-9-27(24,35)21(31)20(19)30/h6-7,16,18-21,30-31,33-36H,8-13H2,1-5H3/t16-,18+,19-,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1
    MOLECULAR FORMULA
    C28H40O9
    CROSS REFERENCES
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    canSAR2093285
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight520.27
    AlogP0.68
    HBond donors6
    HBond acceptors9
    Atoms77
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093285.