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canSAR1590417
FEATURES
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NAMES
    SMILES
    C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(=O)c-4c3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26?,27-/m0/s1
    MOLECULAR FORMULA
    C27H30O16
    CROSS REFERENCES
    1590417 logo

    canSAR1590417

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 610.15
    AlogP -1.74
    HBond donors 10
    HBond acceptors 16
    Atoms 73
    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 canSAR1590417.