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canSAR1061318
FEATURES
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NAMES
    SMILES
    COc1cc(OCC2CO2)c(C(=O)c2ccc(OCC3CO3)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
    InChI
    InChI=1S/C26H30O12/c1-32-15-6-18(36-12-17-11-35-17)21(22(28)13-2-4-14(5-3-13)33-9-16-10-34-16)19(7-15)37-26-25(31)24(30)23(29)20(8-27)38-26/h2-7,16-17,20,23-27,29-31H,8-12H2,1H3/t16?,17?,20-,23-,24+,25-,26-/m1/s1
    MOLECULAR FORMULA
    C26H30O12
    CROSS REFERENCES
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    canSAR1061318

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.17
    AlogP -0.34
    HBond donors 4
    HBond acceptors 12
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061318.