23-[[2-[4-amino-2,4-dihydroxy-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-4-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methyl]-24-hydroxy-15,26-bis(hydroxymethyl)-1,15,22,26,30-pentamethyl-25-(3,4,5-trihydroxyoxan-2-yl)oxy-5,7,9-triazaheptacyclo[16.12.0.02,11.04,8.012,17.021,30.022,27]triaconta-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-2,4-dihydroxy-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-4-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methyl]-24-hydroxy-15,26-bis(hydroxymethyl)-1,15,22,26,30-pentamethyl-25-(3,4,5-trihydroxyoxan-2-yl)oxy-5,7,9-triazaheptacyclo[16.12.0.02,11.04,8.012,17.021,30.022,27]triaconta-4(8),6,18-triene-12-carboxylic acid
• 化学式: C₅₆H₈₇N₇O₁₅
• 分子量: 1098.3
• InChiKey: GKNHJRZHVBMKSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  78
• 可旋转键数：
  16
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  383
• 氢给体数：
  16
• 氢受体数：
  19