13-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-25-benzyl-29-hydroxy-5,32-dimethyl-7,10,14,51,54-pentaoxahexadecacyclo[30.20.2.01,31.02,28.03,47.05,11.06,8.06,28.011,19.012,16.022,27.035,53.037,48.040,44.040,48.049,53]tetrapentaconta-12,15,34-trien-20-yne-9,30,50-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: 13-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-25-benzyl-29-hydroxy-5,32-dimethyl-7,10,14,51,54-pentaoxahexadecacyclo[30.20.2.01,31.02,28.03,47.05,11.06,8.06,28.011,19.012,16.022,27.035,53.037,48.040,44.040,48.049,53]tetrapentaconta-12,15,34-trien-20-yne-9,30,50-trione
• 英文别名: 13-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-25-benzyl-29-hydroxy-5,32-dimethyl-7,10,14,51,54-pentaoxahexadecacyclo[30.20.2.01,31.02,28.03,47.05,11.06,8.06,28.011,19.012,16.022,27.035,53.037,48.040,44.040,48.049,53]tetrapentaconta-12,15,34-trien-20-yne-9,30,50-trione
• 化学式: C₇₃H₈₆N₂O₁₁
• 分子量: 1167.5
• InChiKey: NQBUDJMVEUFBKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  86
• 可旋转键数：
  7
• 环数：
  20.0
• 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