InChIKey | WPCALJOCXUWVDX-MOGJOVFKSA-N |
---|---|
Inchi | 1S/C20H18O8.C9H10N2O3S/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;10-15(14,9-5-6-9)8-3-1-7(2-4-8)11(12)13/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1-4,9-10H,5-6H2/t15-,16-;/m0./s1 |
SMILES | S(C1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-])(C1([H])C([H])([H])C1([H])[H])(=N[H])=O.O(C(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O)[C@]([H])(C(=O)O[H])[C@@]([H])(C(=O)O[H])OC(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O |
氢键供体数量 | 3 |
---|---|
氢键受体数量 | 12 |
可旋转化学键数量 | 11 |
重原子数量 | 43 |
复杂度 | 891 |
拓扑分子极性表面积 | 222 |