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canSAR831846
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C[C@@H]6OC(CC[C@H](C)CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)=C(C)[C@@H]6[C@@]5(C)CC[C@@H]43)C2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H]1O
    InChI
    InChI=1S/C59H94O27/c1-22(20-76-53-46(71)43(68)39(64)34(18-60)81-53)8-11-32-23(2)37-33(80-32)17-31-29-10-9-27-16-28(12-14-58(27,6)30(29)13-15-59(31,37)7)79-57-52(86-54-47(72)42(67)38(63)24(3)77-54)51(41(66)36(83-57)21-75-26(5)62)85-55-49(74)45(70)50(25(4)78-55)84-56-48(73)44(69)40(65)35(19-61)82-56/h9,22,24-25,28-31,33-57,60-61,63-74H,8,10-21H2,1-7H3/t22-,24-,25-,28-,29+,30-,31-,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+,58-,59-/m0/s1
    MOLECULAR FORMULA
    C59H94O27
    CROSS REFERENCES
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    canSAR831846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1234.60
    AlogP -2.64
    HBond donors 14
    HBond acceptors 27
    Atoms 180
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831846.