13-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-25-benzyl-32-cyclohexyl-29-hydroxy-5-methylspiro[7,10,14,52,55-pentaoxaheptadecacyclo[30.21.2.137,47.01,31.02,28.03,39.05,11.06,8.06,28.011,19.012,16.022,27.035,54.038,46.038,50.042,46.050,54]hexapentaconta-12,15,34,48-tetraen-20-yne-43,1'-cyclopentane]-9,30,51-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-32-cyclohexyl-29-hydroxy-5-methylspiro[7,10,14,52,55-pentaoxaheptadecacyclo[30.21.2.137,47.01,31.02,28.03,39.05,11.06,8.06,28.011,19.012,16.022,27.035,54.038,46.038,50.042,46.050,54]hexapentaconta-12,15,34,48-tetraen-20-yne-43,1'-cyclopentane]-9,30,51-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-32-cyclohexyl-29-hydroxy-5-methylspiro[7,10,14,52,55-pentaoxaheptadecacyclo[30.21.2.137,47.01,31.02,28.03,39.05,11.06,8.06,28.011,19.012,16.022,27.035,54.038,46.038,50.042,46.050,54]hexapentaconta-12,15,34,48-tetraen-20-yne-43,1'-cyclopentane]-9,30,51-trione
• 化学式: C₈₄H₁₀₀N₂O₁₁
• 分子量: 1313.7
• InChiKey: NVCXXGZLDKUUBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  97
• 可旋转键数：
  8
• 环数：
  23.0
• 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