5-[2-[3-[2-(3-Aminophenyl)cyclopentyl]-3-methyloxiran-2-yl]-2-hydroxyethyl]-29-cyclohexyl-20-hydroxy-8,14-bis(hydroxymethyl)-27-[3-hydroxy-5-(methylaminomethyl)phenyl]-20,25-dimethyl-18-azaoctacyclo[25.6.3.117,25.01,15.04,33.06,11.015,30.029,37]heptatriacont-4(33)-ene-3,26-dione

• 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: 5-[2-[3-[2-(3-Aminophenyl)cyclopentyl]-3-methyloxiran-2-yl]-2-hydroxyethyl]-29-cyclohexyl-20-hydroxy-8,14-bis(hydroxymethyl)-27-[3-hydroxy-5-(methylaminomethyl)phenyl]-20,25-dimethyl-18-azaoctacyclo[25.6.3.117,25.01,15.04,33.06,11.015,30.029,37]heptatriacont-4(33)-ene-3,26-dione
• 英文别名: 5-[2-[3-[2-(3-aminophenyl)cyclopentyl]-3-methyloxiran-2-yl]-2-hydroxyethyl]-29-cyclohexyl-20-hydroxy-8,14-bis(hydroxymethyl)-27-[3-hydroxy-5-(methylaminomethyl)phenyl]-20,25-dimethyl-18-azaoctacyclo[25.6.3.117,25.01,15.04,33.06,11.015,30.029,37]heptatriacont-4(33)-ene-3,26-dione
• 化学式: C₇₀H₁₀₁N₃O₈
• 分子量: 1112.6
• InChiKey: GBIHGBXUGQCJNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  81
• 可旋转键数：
  11
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  198
• 氢给体数：
  8
• 氢受体数：
  11