canSAR823957
FEATURES
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NAMES
    SMILES
    C/C=C(/C)C(=O)O[C@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](OC(C)=O)[C@]21CO
    InChI
    InChI=1S/C49H76O18/c1-12-21(2)41(61)67-38-36(57)44(5,6)19-25-24-13-14-27-46(9)17-16-28(45(7,8)26(46)15-18-47(27,10)48(24,11)37(58)39(63-23(4)51)49(25,38)20-50)64-43-35(32(55)31(54)34(65-43)40(59)60)66-42-33(56)30(53)29(52)22(3)62-42/h12-13,22,25-39,42-43,50,52-58H,14-20H2,1-11H3,(H,59,60)/b21-12-/t22-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34+,35-,36+,37+,38+,39-,42-,43-,46+,47-,48+,49-/m1/s1
    MOLECULAR FORMULA
    C49H76O18
    CROSS REFERENCES
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    canSAR823957
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight952.50
    AlogP1.88
    HBond donors9
    HBond acceptors18
    Atoms143
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823957.