| InChIKey | YQGUGZPPHKJXNZ-UHFFFAOYSA-N |
| Inchi | InChI=1S/C38H42N2O6/c1-39-16-14-25-21-32(42-4)36(44-6)38-33(25)29(39)19-23-10-12-27(13-11-23)45-37-34-26(22-31(41-3)35(37)43-5)15-17-40(2)30(34)20-24-8-7-9-28(18-24)46-38/h7-13,18,21-22,29-30H,14-17,19-20H2,1-6H3 |
| SMILES | COC1=CC2=C3C(N(CC2)C)CC2=CC=CC(OC4=C(OC)C(OC)=CC5=C4C(N(CC5)C)CC4=CC=C(OC3=C1OC)C=C4)=C2 |
| LogP | 7.03820 |
| PSA | 61.86000 |
| 折射率 | 1.585 |
| 沸点 | 691.6°Cat760mmHg |
| 闪点 | 169.8°C |
| 颜色与性状 | Powder |
| 密度 | 1.1720 |
| 精确分子量 | 622.30400 |
| 氢键供体数量 | 0 |
| 氢键受体数量 | 8 |
| 可旋转化学键数量 | 4 |
| 同位素质量 | 622.304 |
| 重原子数量 | 46 |
| 复杂度 | 895 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 2 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | 6.7 |
| 拓扑分子极性表面积 | 61.9A^2 |
| 分子量 | 622.7 |
| 用途 | 1、轮环藤碱具有抗肿瘤，抗感染，抗寄生虫病的作用。 |
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