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canSAR1122850
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/c2ccc(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc(=O)c1
    InChI
    InChI=1S/C23H24O12/c1-31-15-8-14(33-19(27)9-15)7-4-12-2-5-13(6-3-12)34-23-22(30)21(29)20(28)16(35-23)11-32-18(26)10-17(24)25/h2-9,16,20-23,28-30H,10-11H2,1H3,(H,24,25)/b7-4+/t16-,20-,21+,22-,23-/m1/s1
    MOLECULAR FORMULA
    C23H24O12
    CROSS REFERENCES
    1122850 logo

    canSAR1122850

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.13
    AlogP 0.02
    HBond donors 4
    HBond acceptors 12
    Atoms 59
    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 canSAR1122850.