23-[[2-[4-amino-4-hydroxy-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl]methyl]-24-hydroxy-15,26-bis(hydroxymethyl)-15,22,26,30-tetramethyl-25-(3,4,5-trihydroxyoxan-2-yl)oxy-5,7,9-triazaoctacyclo[19.9.3.01,18.02,11.04,8.012,17.021,30.022,27]tritriaconta-4(8),6,18-triene-12-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: 23-[[2-[4-amino-4-hydroxy-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl]methyl]-24-hydroxy-15,26-bis(hydroxymethyl)-15,22,26,30-tetramethyl-25-(3,4,5-trihydroxyoxan-2-yl)oxy-5,7,9-triazaoctacyclo[19.9.3.01,18.02,11.04,8.012,17.021,30.022,27]tritriaconta-4(8),6,18-triene-12-carboxylic acid
• 化学式: C₅₅H₈₃N₇O₁₃
• 分子量: 1050.3
• InChiKey: RDQQTPAVMAUKHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  75
• 可旋转键数：
  13
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  342
• 氢给体数：
  14
• 氢受体数：
  17