49-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-37-benzyl-33-hydroxy-30,57-dimethyl-23,48,52,55,60-pentaoxanonadecacyclo[32.24.1.14,11.116,27.126,30.02,15.07,11.014,18.015,21.021,26.025,31.025,59.034,56.035,40.043,51.046,50.051,57.054,56.014,62]dohexaconta-19,27,46,49-tetraen-41-yne-22,32,53-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: 49-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-37-benzyl-33-hydroxy-30,57-dimethyl-23,48,52,55,60-pentaoxanonadecacyclo[32.24.1.14,11.116,27.126,30.02,15.07,11.014,18.015,21.021,26.025,31.025,59.034,56.035,40.043,51.046,50.051,57.054,56.014,62]dohexaconta-19,27,46,49-tetraen-41-yne-22,32,53-trione
• 英文别名: 49-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-37-benzyl-33-hydroxy-30,57-dimethyl-23,48,52,55,60-pentaoxanonadecacyclo[32.24.1.14,11.116,27.126,30.02,15.07,11.014,18.015,21.021,26.025,31.025,59.034,56.035,40.043,51.046,50.051,57.054,56.014,62]dohexaconta-19,27,46,49-tetraen-41-yne-22,32,53-trione
• 化学式: C₈₁H₉₄N₂O₁₁
• 分子量: 1271.6
• InChiKey: NNHKAXAFPSUALW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  94
• 可旋转键数：
  7
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13