canSAR817663
FEATURES
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NAMES
    SMILES
    C=C1C(=O)C=C[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O
    InChI
    InChI=1S/C31H36O9/c1-16-21(34)13-14-30(7)24(16)26(38-18(3)32)31(29(5,6)37)15-22(35)17(2)23(31)25(27(30)39-19(4)33)40-28(36)20-11-9-8-10-12-20/h8-14,22,24-27,35,37H,1,15H2,2-7H3/t22-,24-,25+,26-,27-,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H36O9
    CROSS REFERENCES
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    canSAR817663
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight552.24
    AlogP3.25
    HBond donors2
    HBond acceptors9
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817663.