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canSAR1128835
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)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@@]12CO4
    InChI
    InChI=1S/C54H88O24/c1-23(58)72-33-16-48(2,3)14-30-53(33)22-71-54(30)13-9-29-49(4)11-10-32(50(5,21-57)28(49)8-12-51(29,6)52(54,7)15-31(53)60)76-46-42(37(64)27(20-70-46)75-45-41(68)38(65)35(62)25(17-55)73-45)78-47-43(39(66)36(63)26(18-56)74-47)77-44-40(67)34(61)24(59)19-69-44/h24-47,55-57,59-68H,8-22H2,1-7H3/t24-,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,49+,50+,51-,52+,53+,54+/m1/s1
    MOLECULAR FORMULA
    C54H88O24
    CROSS REFERENCES
    1128835 logo

    canSAR1128835

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1120.57
    AlogP -2.56
    HBond donors 13
    HBond acceptors 24
    Atoms 166
    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 canSAR1128835.