34-[4-amino-3-[[2-(ethylamino)ethylamino]methyl]-2,4-dihydroxy-1-(1H-imidazol-5-yl)butyl]-38-hydroxy-19,40-bis(hydroxymethyl)-19,40,44,45-tetramethyl-32-oxo-39-(3,4,5-trihydroxyoxan-2-yl)oxy-9,11,13,33-tetrazaundecacyclo[35.7.1.01,24.05,22.05,44.06,15.08,12.016,21.027,31.031,35.041,45]pentatetraconta-8(12),10,22-trien-25-yne-16-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: 34-[4-amino-3-[[2-(ethylamino)ethylamino]methyl]-2,4-dihydroxy-1-(1H-imidazol-5-yl)butyl]-38-hydroxy-19,40-bis(hydroxymethyl)-19,40,44,45-tetramethyl-32-oxo-39-(3,4,5-trihydroxyoxan-2-yl)oxy-9,11,13,33-tetrazaundecacyclo[35.7.1.01,24.05,22.05,44.06,15.08,12.016,21.027,31.031,35.041,45]pentatetraconta-8(12),10,22-trien-25-yne-16-carboxylic acid
• 化学式: C₆₅H₉₇N₉O₁₃
• 分子量: 1212.5
• InChiKey: PCLDWEOADUSJQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  87
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  366
• 氢给体数：
  16
• 氢受体数：
  19