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canSAR830971
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@](C)(O)[C@H](C)[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C52H84O23/c1-21-30-23-8-9-29-47(3)16-24(54)41(74-44-39(65)40(26(56)18-69-44)73-43-36(62)32(58)25(55)17-68-43)48(4,20-53)28(47)10-11-50(29,6)49(23,5)12-14-52(30,15-13-51(21,7)67)46(66)75-45-38(64)35(61)33(59)27(72-45)19-70-42-37(63)34(60)31(57)22(2)71-42/h8,21-22,24-45,53-65,67H,9-20H2,1-7H3/t21-,22+,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,47+,48+,49-,50-,51+,52-/m1/s1
    MOLECULAR FORMULA
    C52H84O23
    CROSS REFERENCES
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    canSAR830971

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1076.54
    AlogP -2.82
    HBond donors 14
    HBond acceptors 23
    Atoms 159
    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 canSAR830971.