20-[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]-27-benzyl-31-hydroxy-14-methylspiro[16,19,36,40-tetraoxaheptadecacyclo[40.13.2.112,30.01,48.02,41.04,39.06,10.010,38.014,20.015,17.015,30.024,29.033,41.034,39.045,56.049,53.034,58]octapentaconta-3,43,45,54-tetraen-22-yne-8,1'-cyclopentane]-18,32,37-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: 20-[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]-27-benzyl-31-hydroxy-14-methylspiro[16,19,36,40-tetraoxaheptadecacyclo[40.13.2.112,30.01,48.02,41.04,39.06,10.010,38.014,20.015,17.015,30.024,29.033,41.034,39.045,56.049,53.034,58]octapentaconta-3,43,45,54-tetraen-22-yne-8,1'-cyclopentane]-18,32,37-trione
• 英文别名: 20-[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]-27-benzyl-31-hydroxy-14-methylspiro[16,19,36,40-tetraoxaheptadecacyclo[40.13.2.112,30.01,48.02,41.04,39.06,10.010,38.014,20.015,17.015,30.024,29.033,41.034,39.045,56.049,53.034,58]octapentaconta-3,43,45,54-tetraen-22-yne-8,1'-cyclopentane]-18,32,37-trione
• 化学式: C₈₅H₉₈N₂O₁₁
• 分子量: 1323.7
• InChiKey: APJUBBFITJDCDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  98
• 可旋转键数：
  8
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13