12-[[2-[4-amino-4-hydroxy-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl]methyl]-11-hydroxy-2,5,9-tris(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

• 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: 12-[[2-[4-amino-4-hydroxy-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl]methyl]-11-hydroxy-2,5,9-tris(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• 化学式: C₅₃H₈₂N₆O₁₄
• 分子量: 1027.2
• InChiKey: SUSRSIVGNMCZOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  73
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  350
• 氢给体数：
  14
• 氢受体数：
  17