44-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-56-benzyl-60-hydroxy-36-methylspiro[3,7,38,41,45-pentaoxaoctadecacyclo[32.28.1.01,6.05,32.06,26.08,24.08,62.011,23.015,23.016,20.028,32.036,42.037,39.037,59.042,50.043,47.053,58.059,63]trihexaconta-12,25,43,46-tetraen-51-yne-30,1'-cyclopentane]-4,40,61-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: 44-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-56-benzyl-60-hydroxy-36-methylspiro[3,7,38,41,45-pentaoxaoctadecacyclo[32.28.1.01,6.05,32.06,26.08,24.08,62.011,23.015,23.016,20.028,32.036,42.037,39.037,59.042,50.043,47.053,58.059,63]trihexaconta-12,25,43,46-tetraen-51-yne-30,1'-cyclopentane]-4,40,61-trione
• 英文别名: 44-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-56-benzyl-60-hydroxy-36-methylspiro[3,7,38,41,45-pentaoxaoctadecacyclo[32.28.1.01,6.05,32.06,26.08,24.08,62.011,23.015,23.016,20.028,32.036,42.037,39.037,59.042,50.043,47.053,58.059,63]trihexaconta-12,25,43,46-tetraen-51-yne-30,1'-cyclopentane]-4,40,61-trione
• 化学式: C₈₅H₁₀₂N₂O₁₁
• 分子量: 1327.7
• InChiKey: QHSWWOMHHVPXOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  98
• 可旋转键数：
  7
• 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