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canSAR785844
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@@H](O[C@@H]8O[C@@H](C)[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](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
    InChI
    InChI=1S/C71H116O35/c1-26-38(76)44(82)48(86)58(95-26)102-54-28(3)97-63(57(52(54)90)105-60-50(88)46(84)42(80)33(22-73)99-60)94-24-34-43(81)47(85)51(89)61(100-34)106-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)101-64-56(40(78)31(75)23-93-64)104-62-53(91)55(39(77)27(2)96-62)103-59-49(87)45(83)41(79)32(21-72)98-59/h10,26-28,30-64,72-91H,11-25H2,1-9H3/t26-,27-,28+,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+,58-,59-,60-,61-,62-,63+,64-,67-,68-,69+,70+,71-/m0/s1
    MOLECULAR FORMULA
    C71H116O35
    CROSS REFERENCES
    785844 logo

    canSAR785844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1528.73
    AlogP -5.87
    HBond donors 20
    HBond acceptors 35
    Atoms 222
    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 canSAR785844.