28-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-16-benzyl-12-hydroxy-36-methyl-3,7,27,31,34-pentaoxaicosacyclo[47.13.2.25,42.19,13.02,10.02,48.04,9.04,46.05,40.013,35.014,19.022,30.025,29.030,36.033,35.040,44.049,57.052,56.060,64.038,67]heptahexaconta-25,28,46,59,65-pentaen-20-yne-6,11,32-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: 28-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-16-benzyl-12-hydroxy-36-methyl-3,7,27,31,34-pentaoxaicosacyclo[47.13.2.25,42.19,13.02,10.02,48.04,9.04,46.05,40.013,35.014,19.022,30.025,29.030,36.033,35.040,44.049,57.052,56.060,64.038,67]heptahexaconta-25,28,46,59,65-pentaen-20-yne-6,11,32-trione
• 英文别名: 28-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-16-benzyl-12-hydroxy-36-methyl-3,7,27,31,34-pentaoxaicosacyclo[47.13.2.25,42.19,13.02,10.02,48.04,9.04,46.05,40.013,35.014,19.022,30.025,29.030,36.033,35.040,44.049,57.052,56.060,64.038,67]heptahexaconta-25,28,46,59,65-pentaen-20-yne-6,11,32-trione
• 化学式: C₈₅H₉₈N₂O₁₁
• 分子量: 1323.7
• InChiKey: KPKFQEJZVWMTAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  98
• 可旋转键数：
  7
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13