9-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-30,46-diamino-23-hydroxy-5-(1-hydroxyethyl)-19-(hydroxymethyl)-22-methoxy-33-[[3-(2-phenylethyl)phenyl]methyl]-36,37-dithia-6,29,45,47-tetrazanonacyclo[32.10.5.19,13.03,39.07,40.010,40.020,25.027,32.039,43]pentaconta-3,18,20,22,24,27,31,46-octaen-48-yne-15,17-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: 9-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-30,46-diamino-23-hydroxy-5-(1-hydroxyethyl)-19-(hydroxymethyl)-22-methoxy-33-[[3-(2-phenylethyl)phenyl]methyl]-36,37-dithia-6,29,45,47-tetrazanonacyclo[32.10.5.19,13.03,39.07,40.010,40.020,25.027,32.039,43]pentaconta-3,18,20,22,24,27,31,46-octaen-48-yne-15,17-dione
• 英文别名: 9-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-30,46-diamino-23-hydroxy-5-(1-hydroxyethyl)-19-(hydroxymethyl)-22-methoxy-33-[[3-(2-phenylethyl)phenyl]methyl]-36,37-dithia-6,29,45,47-tetrazanonacyclo[32.10.5.19,13.03,39.07,40.010,40.020,25.027,32.039,43]pentaconta-3,18,20,22,24,27,31,46-octaen-48-yne-15,17-dione
• 化学式: C₇₆H₉₆N₈O₆S₂
• 分子量: 1281.8
• InChiKey: OHNQAEUUHJIPMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  92
• 可旋转键数：
  10
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  279
• 氢给体数：
  10
• 氢受体数：
  14