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canSAR1145987
FEATURES
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NAMES
    SMILES
    CC1(C)CC[C@@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O
    InChI
    InChI=1S/C42H68O14/c1-37(2)14-15-42(36(52)56-35-32(51)30(49)33(23(19-44)54-35)55-34-31(50)29(48)28(47)22(18-43)53-34)21(16-37)20-8-9-25-39(5)12-11-26(45)38(3,4)24(39)10-13-40(25,6)41(20,7)17-27(42)46/h8,21-35,43-51H,9-19H2,1-7H3/t21-,22+,23+,24-,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35-,39-,40+,41+,42+/m0/s1
    MOLECULAR FORMULA
    C42H68O14
    CROSS REFERENCES
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    canSAR1145987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 796.46
    AlogP 1.29
    HBond donors 9
    HBond acceptors 14
    Atoms 124
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145987.