12-(3-amino-1,3-dihydroxypropyl)-7-hydroxy-5,28-bis(hydroxymethyl)-12-(1H-imidazol-5-yl)-3,5,28,42-tetramethyl-15-oxo-6-(3,4,5-trihydroxyoxan-2-yl)oxy-14,34,36,38-tetrazadodecacyclo[21.19.3.21,4.19,13.02,23.03,8.016,20.025,42.026,31.032,41.035,39.016,46]octatetraconta-10,24,35(39),36-tetraen-21-yne-31-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-(3-amino-1,3-dihydroxypropyl)-7-hydroxy-5,28-bis(hydroxymethyl)-12-(1H-imidazol-5-yl)-3,5,28,42-tetramethyl-15-oxo-6-(3,4,5-trihydroxyoxan-2-yl)oxy-14,34,36,38-tetrazadodecacyclo[21.19.3.21,4.19,13.02,23.03,8.016,20.025,42.026,31.032,41.035,39.016,46]octatetraconta-10,24,35(39),36-tetraen-21-yne-31-carboxylic acid
• 化学式: C₆₂H₈₅N₇O₁₃
• 分子量: 1136.4
• InChiKey: RPIKTMYFPOLRHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  82
• 可旋转键数：
  9
• 环数：
  14.0
• 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