Inchi | 1S/C34H45N3O8/c1-34(2,3)45-33(40)36-17-19-42-21-23-44-25-24-43-22-20-41-18-16-35-31(38)14-15-32(39)37-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)37/h4-11H,14-26H2,1-3H3,(H,35,38)(H,36,40) |
InChIKey | IYUOKJUXPPDWCZ-UHFFFAOYSA-N |
SMILES | O(C(N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])C(N1C2=C([H])C([H])=C([H])C([H])=C2C#CC2=C([H])C([H])=C([H])C([H])=C2C1([H])[H])=O)=O)=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
氢键供体数量 | 2 |
氢键受体数量 | 8 |
重原子数量 | 45 |
可旋转化学键数量 | 20 |
复杂度 | 972 |
疏水参数计算参考值(XlogP) | 2.2 |
拓扑分子极性表面积 | 125 |