50-[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]-44-(3-benzylcyclohexyl)-43-hydroxy-51-methyl-35,39,46,49-tetraoxanonadecacyclo[30.24.1.137,44.03,55.05,38.07,40.08,17.08,25.09,14.010,27.011,40.018,23.026,31.033,38.033,55.037,41.045,47.045,51.053,58]octapentaconta-5,14,24,26,28,30,32(57)-heptaene-34,42,48-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: 50-[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]-44-(3-benzylcyclohexyl)-43-hydroxy-51-methyl-35,39,46,49-tetraoxanonadecacyclo[30.24.1.137,44.03,55.05,38.07,40.08,17.08,25.09,14.010,27.011,40.018,23.026,31.033,38.033,55.037,41.045,47.045,51.053,58]octapentaconta-5,14,24,26,28,30,32(57)-heptaene-34,42,48-trione
• 英文别名: 50-[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]-44-(3-benzylcyclohexyl)-43-hydroxy-51-methyl-35,39,46,49-tetraoxanonadecacyclo[30.24.1.137,44.03,55.05,38.07,40.08,17.08,25.09,14.010,27.011,40.018,23.026,31.033,38.033,55.037,41.045,47.045,51.053,58]octapentaconta-5,14,24,26,28,30,32(57)-heptaene-34,42,48-trione
• 化学式: C₈₇H₉₆N₂O₁₁
• 分子量: 1345.7
• InChiKey: DQPHMCWUCNECJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  100
• 可旋转键数：
  9
• 环数：
  26.0
• 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