InChIKey | WYWZGOQZYNUGSF-NTXXOLCNSA-N |
---|---|
Inchi | 1S/C61H92O28/c1-11-25(2)51(78)89-49-48(75)61(24-81-26(3)64)29(18-56(49,5)6)28-12-13-34-57(7)16-15-35(58(8,23-63)33(57)14-17-59(34,9)60(28,10)19-36(61)82-27(4)65)84-55-47(88-53-42(73)40(71)39(70)32(20-62)83-53)44(43(74)45(86-55)50(76)77)85-54-46(38(69)31(67)22-80-54)87-52-41(72)37(68)30(66)21-79-52/h11-12,23,29-49,52-55,62,66-75H,13-22,24H2,1-10H3,(H,76,77)/b25-11+/t29-,30+,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49-,52-,53-,54-,55+,57-,58-,59+,60+,61-/m0/s1 |
SMILES | O[C@H]1[C@H](OC(=O)/C(/C)=C/C)C(C)(C)C[C@@]2([H])C3[C@@](C)(C[C@@H](OC(C)=O)[C@]21COC(=O)C)[C@]1(C)CC[C@@]2([H])[C@](C)(C=O)[C@@H](O[C@]4([H])O[C@@H]([C@@H](O)[C@H](O[C@@]5(OC[C@H](O)[C@H](O)[C@H]5O[C@@]5(OC[C@H]([C@H](O)[C@H]5O)O)[H])[H])[C@H]4O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(O)=O)CC[C@]2(C)[C@]1(CC=3)[H] |
氢键供体数量 | 12 |
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氢键受体数量 | 28 |
重原子数量 | 89 |
疏水参数计算参考值(XlogP) | 1.908 |