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canSAR500828
FEATURES
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NAMES
    SMILES
    C=C(CCC12OC(C(=O)OC(C)C)C(O)(C(=O)OCOC(=O)C(C)(C)C)C(C(=O)O)(O1)[C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1
    InChI
    InChI=1S/C44H62O16/c1-12-26(4)22-27(5)18-19-32(46)58-35-34(47)42(21-20-28(6)33(57-30(8)45)29(7)23-31-16-14-13-15-17-31)59-36(37(48)56-25(2)3)43(53,44(35,60-42)38(49)50)40(52)55-24-54-39(51)41(9,10)11/h13-19,25-27,29,33-36,47,53H,6,12,20-24H2,1-5,7-11H3,(H,49,50)/b19-18+/t26-,27+,29+,33+,34+,35+,36?,42?,43?,44?/m0/s1
    MOLECULAR FORMULA
    C44H62O16
    CROSS REFERENCES
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    canSAR500828

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 846.40
    AlogP 4.76
    HBond donors 3
    HBond acceptors 16
    Atoms 122
    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 canSAR500828.