canSAR736307
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)OC(C)(C)CC4)cc1S(=O)(=O)O
    InChI
    InChI=1S/C21H20O9S/c1-21(2)7-6-11-14(30-21)9-12(22)16-17(23)18(24)19(29-20(11)16)10-4-5-13(28-3)15(8-10)31(25,26)27/h4-5,8-9,22,24H,6-7H2,1-3H3,(H,25,26,27)
    MOLECULAR FORMULA
    C21H20O9S
    CROSS REFERENCES
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    canSAR736307
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight448.08
    AlogP3.23
    HBond donors3
    HBond acceptors9
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR736307.