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canSAR56575
FEATURES
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NAMES
    SMILES
    CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1
    InChI
    InChI=1S/C25H26O12/c1-34-25-24(37-21(31)9-5-14-3-7-16(27)18(29)11-14)23(33)22(32)19(36-25)12-35-20(30)8-4-13-2-6-15(26)17(28)10-13/h2-11,19,22-29,32-33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25-/m1/s1
    MOLECULAR FORMULA
    C25H26O12
    CROSS REFERENCES
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    canSAR56575

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.14
    AlogP 0.78
    HBond donors 6
    HBond acceptors 12
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR56575.