22-[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]-28-(3-benzylcyclohexyl)-29-hydroxy-8,21-dimethyl-9-(1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)spiro[3,7,23,26-tetraoxadecacyclo[17.12.1.01,6.05,17.06,11.08,31.013,17.021,27.025,27.028,32]dotriacont-10-ene-15,1'-cyclopentane]-4,24,30-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: 22-[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]-28-(3-benzylcyclohexyl)-29-hydroxy-8,21-dimethyl-9-(1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)spiro[3,7,23,26-tetraoxadecacyclo[17.12.1.01,6.05,17.06,11.08,31.013,17.021,27.025,27.028,32]dotriacont-10-ene-15,1'-cyclopentane]-4,24,30-trione
• 英文别名: 22-[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]-28-(3-benzylcyclohexyl)-29-hydroxy-8,21-dimethyl-9-(1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)spiro[3,7,23,26-tetraoxadecacyclo[17.12.1.01,6.05,17.06,11.08,31.013,17.021,27.025,27.028,32]dotriacont-10-ene-15,1'-cyclopentane]-4,24,30-trione
• 化学式: C₇₇H₉₈N₂O₁₁
• 分子量: 1227.6
• InChiKey: KSNWAECNTPTLIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  90
• 可旋转键数：
  10
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13