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canSAR1123869
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1CC(C)(C)C[C@H]2[C@@]34CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@@]12CO4
    InChI
    InChI=1S/C54H88O23/c1-23(57)71-33-17-48(2,3)15-30-53(33)22-70-54(30)14-10-29-50(6)12-11-32(49(4,5)28(50)9-13-51(29,7)52(54,8)16-31(53)59)75-46-42(37(63)27(21-69-46)74-45-41(67)38(64)35(61)25(18-55)72-45)77-47-43(39(65)36(62)26(19-56)73-47)76-44-40(66)34(60)24(58)20-68-44/h24-47,55-56,58-67H,9-22H2,1-8H3/t24-,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,50+,51-,52+,53+,54+/m1/s1
    MOLECULAR FORMULA
    C54H88O23
    CROSS REFERENCES
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    canSAR1123869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1104.57
    AlogP -1.53
    HBond donors 12
    HBond acceptors 23
    Atoms 165
    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 canSAR1123869.