Inchi | 1S/C35H39N5O10/c41-34(37-15-13-35(42)38-26-29-7-2-1-5-27(29)9-10-28-6-3-4-8-32(28)38)14-17-47-19-21-49-23-24-50-22-20-48-18-16-36-31-12-11-30(39(43)44)25-33(31)40(45)46/h1-8,11-12,25,36H,13-24,26H2,(H,37,41) |
InChIKey | QEBKLLLFFHAWSF-UHFFFAOYSA-N |
SMILES | O=C(C([H])([H])C([H])([H])N([H])C(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])C1C([H])=C([H])C(=C([H])C=1[N+](=O)[O-])[N+](=O)[O-])=O)N1C2=C([H])C([H])=C([H])C([H])=C2C#CC2=C([H])C([H])=C([H])C([H])=C2C1([H])[H] |
氢键供体数量 | 2 |
氢键受体数量 | 11 |
重原子数量 | 50 |
可旋转化学键数量 | 19 |
复杂度 | 1150 |
疏水参数计算参考值(XlogP) | 3.4 |
拓扑分子极性表面积 | 190 |