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canSAR1689642
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C27H30O15/c1-9-17(32)19(34)21(36)26(38-9)41-24-15(8-28)40-27(22(37)20(24)35)42-25-18(33)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17,19-22,24,26-32,34-37H,8H2,1H3/t9-,15+,17-,19+,20+,21+,22+,24+,26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H30O15
    CROSS REFERENCES
    1689642 logo

    canSAR1689642

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.16
    AlogP -1.39
    HBond donors 9
    HBond acceptors 15
    Atoms 72
    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 canSAR1689642.