16,21,25,29,31-Pentahydroxy-19-[2-hydroxy-1-[[3,7,11-trihydroxy-12-[(7-hydroxy-4,4,6,8-tetramethyl-5-oxonon-2-enoyl)amino]-2,6,8,10,14-pentamethylpentadec-8-enoyl]amino]propyl]-20,24,26,28,30,35-hexamethyl-13,17-dioxo-18,37-dioxa-14-azabicyclo[31.3.1]heptatriaconta-3,5,9,11,23,27-hexaene-15-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: 16,21,25,29,31-Pentahydroxy-19-[2-hydroxy-1-[[3,7,11-trihydroxy-12-[(7-hydroxy-4,4,6,8-tetramethyl-5-oxonon-2-enoyl)amino]-2,6,8,10,14-pentamethylpentadec-8-enoyl]amino]propyl]-20,24,26,28,30,35-hexamethyl-13,17-dioxo-18,37-dioxa-14-azabicyclo[31.3.1]heptatriaconta-3,5,9,11,23,27-hexaene-15-carboxylic acid
• 英文别名: 16,21,25,29,31-pentahydroxy-19-[2-hydroxy-1-[[3,7,11-trihydroxy-12-[(7-hydroxy-4,4,6,8-tetramethyl-5-oxonon-2-enoyl)amino]-2,6,8,10,14-pentamethylpentadec-8-enoyl]amino]propyl]-20,24,26,28,30,35-hexamethyl-13,17-dioxo-18,37-dioxa-14-azabicyclo[31.3.1]heptatriaconta-3,5,9,11,23,27-hexaene-15-carboxylic acid
• 化学式: C₇₇H₁₂₇N₃O₁₉
• 分子量: 1398.8
• InChiKey: MCZKHQJFOAVQIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  99
• 可旋转键数：
  23
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  380
• 氢给体数：
  14
• 氢受体数：
  19