canSAR388540
FEATURES
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NAMES
    SMILES
    C=C(CCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)[C@H](OC(=O)OCCC[C@@H](C)C[C@@H](C)CC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1
    InChI
    InChI=1S/C36H50O15/c1-7-20(2)18-21(3)12-11-17-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)16-15-22(4)26(48-24(6)37)23(5)19-25-13-9-8-10-14-25/h8-10,13-14,20-21,23,26-29,38,46H,4,7,11-12,15-19H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/t20-,21+,23+,26+,27+,28+,29?,34?,35?,36?/m0/s1
    MOLECULAR FORMULA
    C36H50O15
    CROSS REFERENCES
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    canSAR388540
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight722.31
    AlogP3.72
    HBond donors5
    HBond acceptors15
    Atoms101
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR388540.