canSAR1000772
FEATURES
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NAMES
    SMILES
    COc1cc2c(O[C@@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
    InChI
    InChI=1S/C30H30O12/c1-30(2)39-11-21-27(42-30)24(31)25(32)29(40-21)41-26-15-9-19(35-4)18(34-3)8-14(15)22(23-16(26)10-36-28(23)33)13-5-6-17-20(7-13)38-12-37-17/h5-9,21,24-25,27,29,31-32H,10-12H2,1-4H3/t21-,24-,25-,27-,29+/m1/s1
    MOLECULAR FORMULA
    C30H30O12
    CROSS REFERENCES
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    canSAR1000772
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight582.17
    AlogP2.90
    HBond donors2
    HBond acceptors12
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1000772.