16-[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]-9-hydroxy-6,10,17-trimethyl-12,15,34,38-tetraoxadodecacyclo[17.16.1.12,6.13,22.01,7.02,32.010,36.011,13.011,17.021,25.021,32.025,29]octatriacont-3-ene-8,14,33-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: 16-[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]-9-hydroxy-6,10,17-trimethyl-12,15,34,38-tetraoxadodecacyclo[17.16.1.12,6.13,22.01,7.02,32.010,36.011,13.011,17.021,25.021,32.025,29]octatriacont-3-ene-8,14,33-trione
• 英文别名: 16-[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]-9-hydroxy-6,10,17-trimethyl-12,15,34,38-tetraoxadodecacyclo[17.16.1.12,6.13,22.01,7.02,32.010,36.011,13.011,17.021,25.021,32.025,29]octatriacont-3-ene-8,14,33-trione
• 化学式: C₅₆H₇₀N₂O₁₁
• 分子量: 947.2
• InChiKey: SDZKKVJRJACAGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  69
• 可旋转键数：
  6
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13