canSAR857636
FEATURES
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NAMES
    SMILES
    CO[C@H]1[C@H](O[C@H]2CC[C@@]3(C)C([C@H](O)C[C@@]4(O)[C@@H]5[C@@H](O)C[C@H]([C@H](C)CC[C@H](O[C@@H]6O[C@@H](CO)[C@H](OS(=O)(=O)O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)C)[C@@]5(C)CC[C@H]34)[C@H]2O)OC[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C43H74O21S/c1-18(2)24(59-40-36(34(27(16-45)62-40)64-65(54,55)56)63-38-33(52)32(51)26(15-44)61-38)8-7-19(3)20-13-21(46)37-41(20,4)12-10-28-42(5)11-9-25(31(50)29(42)22(47)14-43(28,37)53)60-39-35(57-6)30(49)23(48)17-58-39/h18-40,44-53H,7-17H2,1-6H3,(H,54,55,56)/t19-,20-,21+,22-,23-,24+,25+,26+,27+,28-,29?,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42-,43+/m1/s1
    MOLECULAR FORMULA
    C43H74O21S
    CROSS REFERENCES
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    canSAR857636
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight958.44
    AlogP-1.66
    HBond donors11
    HBond acceptors21
    Atoms139
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857636.