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canSAR1125539
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC[C@]57OC[C@@]8(CC[C@](C)(C=O)C[C@H]85)[C@H](O)C[C@]76C)C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C64H104O31/c1-25-36(71)41(76)44(79)53(86-25)93-49-39(74)29(20-67)89-57(51(49)95-52-47(82)48(26(69)21-83-52)92-54-45(80)42(77)37(72)27(18-65)87-54)90-30-22-84-56(50(40(30)75)94-55-46(81)43(78)38(73)28(19-66)88-55)91-35-10-11-60(5)31(58(35,2)3)8-12-61(6)32(60)9-13-64-33-16-59(4,23-68)14-15-63(33,24-85-64)34(70)17-62(61,64)7/h23,25-57,65-67,69-82H,8-22,24H2,1-7H3/t25-,26+,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61+,62-,63+,64-/m0/s1
    MOLECULAR FORMULA
    C64H104O31
    CROSS REFERENCES
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    canSAR1125539

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1368.66
    AlogP -5.22
    HBond donors 17
    HBond acceptors 31
    Atoms 199
    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 canSAR1125539.