7-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-28,36-diamino-21-hydroxy-3-(1-hydroxyethyl)-17-(hydroxymethyl)-20-methoxy-31-[[3-(2-phenylethyl)phenyl]methyl]-4,27,35,37-tetrazaoctacyclo[36.6.1.17,11.05,43.08,43.018,23.025,30.040,44]hexatetraconta-1,16,18,20,22,25,29,35-octaen-33-yne-13,15-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: 7-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-28,36-diamino-21-hydroxy-3-(1-hydroxyethyl)-17-(hydroxymethyl)-20-methoxy-31-[[3-(2-phenylethyl)phenyl]methyl]-4,27,35,37-tetrazaoctacyclo[36.6.1.17,11.05,43.08,43.018,23.025,30.040,44]hexatetraconta-1,16,18,20,22,25,29,35-octaen-33-yne-13,15-dione
• 英文别名: 7-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-28,36-diamino-21-hydroxy-3-(1-hydroxyethyl)-17-(hydroxymethyl)-20-methoxy-31-[[3-(2-phenylethyl)phenyl]methyl]-4,27,35,37-tetrazaoctacyclo[36.6.1.17,11.05,43.08,43.018,23.025,30.040,44]hexatetraconta-1,16,18,20,22,25,29,35-octaen-33-yne-13,15-dione
• 化学式: C₇₄H₉₄N₈O₆
• 分子量: 1191.6
• InChiKey: VRDAJAAJYQXXNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  88
• 可旋转键数：
  10
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  229
• 氢给体数：
  10
• 氢受体数：
  12