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canSAR1022527
FEATURES
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NAMES
    SMILES
    COc1c(OC(C)C)cc2c(c1OC(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O
    InChI
    InChI=1S/C20H28O9/c1-8(2)26-11-6-10-13(17(16(11)25-5)27-9(3)4)18-19(29-20(10)24)15(23)14(22)12(7-21)28-18/h6,8-9,12,14-15,18-19,21-23H,7H2,1-5H3/t12-,14-,15+,18+,19-/m1/s1
    MOLECULAR FORMULA
    C20H28O9
    CROSS REFERENCES
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    canSAR1022527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.17
    AlogP 0.96
    HBond donors 3
    HBond acceptors 9
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1022527.