InChIKey | YCDZBVXSGVWFFX-UKHVTAPLSA-N |
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Inchi | 1S/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10-/t21-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,34+,35-,36-/m1/s1 |
SMILES | O([H])[C@]1([H])C([H])([H])[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(/C(=C(/[H])\C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[H])/C([H])([H])[H])[C@]21[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H] |
溶解度 | Insuluble (8.1E-4 g/L) (25 ºC), |
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颜色与性状 | Powder |
密度 | 1.19±0.1 g/cm3 (20 ºC 760 Torr), |
氢键供体数量 | 6 |
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氢键受体数量 | 8 |
可旋转化学键数量 | 7 |
重原子数量 | 44 |
复杂度 | 1070 |
疏水参数计算参考值(XlogP) | 5.6 |
拓扑分子极性表面积 | 140 |