15-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-27-benzyl-31-hydroxy-7-methyl-9,12,16,36,40-pentaoxaicosacyclo[36.24.2.242,45.15,30.03,38.03,61.07,13.08,10.08,30.013,21.014,18.024,29.033,41.034,39.039,59.041,57.044,56.048,56.049,53.034,67]heptahexaconta-14,17,45,58,63,65-hexaen-22-yne-11,32,37-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: 15-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-27-benzyl-31-hydroxy-7-methyl-9,12,16,36,40-pentaoxaicosacyclo[36.24.2.242,45.15,30.03,38.03,61.07,13.08,10.08,30.013,21.014,18.024,29.033,41.034,39.039,59.041,57.044,56.048,56.049,53.034,67]heptahexaconta-14,17,45,58,63,65-hexaen-22-yne-11,32,37-trione
• 英文别名: 15-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-27-benzyl-31-hydroxy-7-methyl-9,12,16,36,40-pentaoxaicosacyclo[36.24.2.242,45.15,30.03,38.03,61.07,13.08,10.08,30.013,21.014,18.024,29.033,41.034,39.039,59.041,57.044,56.048,56.049,53.034,67]heptahexaconta-14,17,45,58,63,65-hexaen-22-yne-11,32,37-trione
• 化学式: C₈₅H₉₆N₂O₁₁
• 分子量: 1321.7
• InChiKey: JOESNULBPBARBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  98
• 可旋转键数：
  7
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13