4-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-25,33-diamino-18-hydroxy-14-(hydroxymethyl)-2-(2-hydroxypropylamino)-17-methoxy-36-(2-phenylethyl)-28-[[3-(2-phenylethyl)phenyl]methyl]-42,43-dithia-24,32,34-triazaheptacyclo[27.10.5.14,8.01,5.015,20.022,27.037,40]pentatetraconta-13,15,17,19,22,26,32-heptaen-30-yne-10,12-dione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-25,33-diamino-18-hydroxy-14-(hydroxymethyl)-2-(2-hydroxypropylamino)-17-methoxy-36-(2-phenylethyl)-28-[[3-(2-phenylethyl)phenyl]methyl]-42,43-dithia-24,32,34-triazaheptacyclo[27.10.5.14,8.01,5.015,20.022,27.037,40]pentatetraconta-13,15,17,19,22,26,32-heptaen-30-yne-10,12-dione
• 英文别名: 4-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-25,33-diamino-18-hydroxy-14-(hydroxymethyl)-2-(2-hydroxypropylamino)-17-methoxy-36-(2-phenylethyl)-28-[[3-(2-phenylethyl)phenyl]methyl]-42,43-dithia-24,32,34-triazaheptacyclo[27.10.5.14,8.01,5.015,20.022,27.037,40]pentatetraconta-13,15,17,19,22,26,32-heptaen-30-yne-10,12-dione
• 化学式: C₈₁H₁₀₄N₈O₆S₂
• 分子量: 1349.9
• InChiKey: JPIHUIYVPUXNRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  97
• 可旋转键数：
  15
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  279
• 氢给体数：
  10
• 氢受体数：
  14