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canSAR914552
FEATURES
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NAMES
    SMILES
    C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](OC(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1
    InChI
    InChI=1S/C48H74O21/c1-20-41(67-36-16-30(51)42(21(2)62-36)68-37-17-31(66-45(57)58)43(22(3)63-37)69-44-40(56)39(55)38(54)32(18-49)65-44)29(50)15-35(61-20)64-25-8-10-46(4)24(13-25)6-7-27-28(46)14-33(52)47(5)26(9-11-48(27,47)59)23-12-34(53)60-19-23/h12,20-22,24-33,35-44,49-52,54-56,59H,6-11,13-19H2,1-5H3,(H,57,58)/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,46+,47+,48+/m1/s1
    MOLECULAR FORMULA
    C48H74O21
    CROSS REFERENCES
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    canSAR914552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 986.47
    AlogP 0.74
    HBond donors 9
    HBond acceptors 21
    Atoms 143
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR914552.