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canSAR1068931
FEATURES
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NAMES
    SMILES
    C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21
    InChI
    InChI=1S/C35H58O9/c1-17-14-19(27(39)31(4,5)41)43-26-23(17)32(6)12-13-35-16-34(35)11-10-22(44-29-25(38)24(37)18(36)15-42-29)30(2,3)20(34)8-9-21(35)33(32,7)28(26)40/h17-29,36-41H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,32-,33-,34-,35+/m1/s1
    MOLECULAR FORMULA
    C35H58O9
    CROSS REFERENCES
    1068931 logo

    canSAR1068931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.41
    AlogP 2.76
    HBond donors 6
    HBond acceptors 9
    Atoms 102
    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 canSAR1068931.