20-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-8-benzyl-4-hydroxy-1,28-dimethyl-19,23,26,34,58-pentaoxaoctadecacyclo[30.25.2.140,47.02,32.05,27.05,31.06,11.014,22.017,21.022,28.025,27.030,38.036,59.037,50.037,53.043,47.055,59.050,60]hexaconta-17,20,55-trien-12-yne-3,24,35-trione

• 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: 20-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-8-benzyl-4-hydroxy-1,28-dimethyl-19,23,26,34,58-pentaoxaoctadecacyclo[30.25.2.140,47.02,32.05,27.05,31.06,11.014,22.017,21.022,28.025,27.030,38.036,59.037,50.037,53.043,47.055,59.050,60]hexaconta-17,20,55-trien-12-yne-3,24,35-trione
• 英文别名: 20-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-8-benzyl-4-hydroxy-1,28-dimethyl-19,23,26,34,58-pentaoxaoctadecacyclo[30.25.2.140,47.02,32.05,27.05,31.06,11.014,22.017,21.022,28.025,27.030,38.036,59.037,50.037,53.043,47.055,59.050,60]hexaconta-17,20,55-trien-12-yne-3,24,35-trione
• 化学式: C₇₉H₉₄N₂O₁₁
• 分子量: 1247.6
• InChiKey: XJIYNENLLLVNKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  92
• 可旋转键数：
  7
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13