19-[2-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]furan-3-yl]-12-benzyl-8-hydroxy-25-methyl-3,20,23,54-tetraoxaoctadecacyclo[29.24.2.249,52.15,9.01,29.05,55.06,53.09,24.010,15.019,25.022,24.029,33.035,55.037,53.038,46.038,50.041,45.027,60]hexaconta-35,39,48,56,58-pentaen-16-yne-2,7,21-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: 19-[2-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]furan-3-yl]-12-benzyl-8-hydroxy-25-methyl-3,20,23,54-tetraoxaoctadecacyclo[29.24.2.249,52.15,9.01,29.05,55.06,53.09,24.010,15.019,25.022,24.029,33.035,55.037,53.038,46.038,50.041,45.027,60]hexaconta-35,39,48,56,58-pentaen-16-yne-2,7,21-trione
• 英文别名: 19-[2-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]furan-3-yl]-12-benzyl-8-hydroxy-25-methyl-3,20,23,54-tetraoxaoctadecacyclo[29.24.2.249,52.15,9.01,29.05,55.06,53.09,24.010,15.019,25.022,24.029,33.035,55.037,53.038,46.038,50.041,45.027,60]hexaconta-35,39,48,56,58-pentaen-16-yne-2,7,21-trione
• 化学式: C₈₃H₉₂N₂O₁₁
• 分子量: 1293.6
• InChiKey: OEMZHRPIBDZSQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  96
• 可旋转键数：
  8
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13