30-[4-amino-2,4-dihydroxy-1-(1H-imidazol-5-yl)butyl]-34-hydroxy-15,36-bis(hydroxymethyl)-15,36,38,40-tetramethyl-28-oxo-35-(3,4,5-trihydroxyoxan-2-yl)oxy-5,7,9,29-tetrazaundecacyclo[30.8.4.237,40.01,18.02,11.04,8.012,17.020,39.023,27.027,31.033,38]hexatetraconta-4(8),6,18-trien-21,43-diyne-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: 30-[4-amino-2,4-dihydroxy-1-(1H-imidazol-5-yl)butyl]-34-hydroxy-15,36-bis(hydroxymethyl)-15,36,38,40-tetramethyl-28-oxo-35-(3,4,5-trihydroxyoxan-2-yl)oxy-5,7,9,29-tetrazaundecacyclo[30.8.4.237,40.01,18.02,11.04,8.012,17.020,39.023,27.027,31.033,38]hexatetraconta-4(8),6,18-trien-21,43-diyne-12-carboxylic acid
• 化学式: C₆₁H₈₃N₇O₁₃
• 分子量: 1122.3
• InChiKey: ONSBHGUAEOCFGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  81
• 可旋转键数：
  10
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  342
• 氢给体数：
  14
• 氢受体数：
  17