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canSAR464165
FEATURES
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NAMES
    SMILES
    O=C1O[C@@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3-c3c1cc(O)c(O)c3O)C(O)O[C@H](CO)[C@H]2O
    InChI
    InChI=1S/C20H18O14/c21-3-8-13(26)16-17(20(31)32-8)34-19(30)5-2-7(23)12(25)15(28)10(5)9-4(18(29)33-16)1-6(22)11(24)14(9)27/h1-2,8,13,16-17,20-28,31H,3H2/t8-,13-,16+,17-,20?/m1/s1
    MOLECULAR FORMULA
    C20H18O14
    CROSS REFERENCES
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    canSAR464165

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.07
    AlogP -1.28
    HBond donors 9
    HBond acceptors 14
    Atoms 52
    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 canSAR464165.