24'-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-12'-benzyl-8'-hydroxy-7,32'-dimethylspiro[1,2,3,3a,4,5,7,7a-octahydroindene-6,45'-3,23,27,30,50-pentaoxahexadecacyclo[36.13.2.15,9.01,36.05,51.06,49.09,31.010,15.018,26.021,25.026,32.029,31.036,40.042,51.044,49.034,54]tetrapentaconta-21,24,42,46,52-pentaen-16-yne]-2',7',28'-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: 24'-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-12'-benzyl-8'-hydroxy-7,32'-dimethylspiro[1,2,3,3a,4,5,7,7a-octahydroindene-6,45'-3,23,27,30,50-pentaoxahexadecacyclo[36.13.2.15,9.01,36.05,51.06,49.09,31.010,15.018,26.021,25.026,32.029,31.036,40.042,51.044,49.034,54]tetrapentaconta-21,24,42,46,52-pentaen-16-yne]-2',7',28'-trione
• 英文别名: 24'-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-12'-benzyl-8'-hydroxy-7,32'-dimethylspiro[1,2,3,3a,4,5,7,7a-octahydroindene-6,45'-3,23,27,30,50-pentaoxahexadecacyclo[36.13.2.15,9.01,36.05,51.06,49.09,31.010,15.018,26.021,25.026,32.029,31.036,40.042,51.044,49.034,54]tetrapentaconta-21,24,42,46,52-pentaen-16-yne]-2',7',28'-trione
• 化学式: C₈₁H₉₄N₂O₁₁
• 分子量: 1271.6
• InChiKey: JINLENXEBXAVPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  94
• 可旋转键数：
  7
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13