canSAR1503472
FEATURES
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NAMES
    SMILES
    C=C1C2C[C@@H](OC(C)=O)[C@]3(C)[C@@H](c4ccoc4)OC(=O)[C@@H](O)[C@]13O[C@H]1C[C@H](OC(C)=O)C(C)(C)[C@H](C(O)C(=O)OC)[C@@]21C
    InChI
    InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3/t18?,19-,20-,21+,22?,23-,24+,25+,29-,30+,31+/m0/s1
    MOLECULAR FORMULA
    C31H40O12
    CROSS REFERENCES
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    canSAR1503472
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight604.25
    AlogP2.41
    HBond donors2
    HBond acceptors12
    Atoms83
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503472.