2-[2-(3,6-diazabicyclo[4.2.0]oct-1(6)-en-2-yl)-1-[3-[2-(2-ethyl-3,7-dihydropyrrolo[3,2-b]pyrrol-3-id-6-yl)ethynyl]phenyl]ethylidene]-4-hydroxy-1-(4-hydroxycyclohexa-1,3,5-trien-1-yl)-3-[2-hydroxy-1-(3-hydroxy-6-phenylhex-5-enoxy)-2-methoxyethylidene]oxolan-1-ium-5-one

• 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: 2-[2-(3,6-diazabicyclo[4.2.0]oct-1(6)-en-2-yl)-1-[3-[2-(2-ethyl-3,7-dihydropyrrolo[3,2-b]pyrrol-3-id-6-yl)ethynyl]phenyl]ethylidene]-4-hydroxy-1-(4-hydroxycyclohexa-1,3,5-trien-1-yl)-3-[2-hydroxy-1-(3-hydroxy-6-phenylhex-5-enoxy)-2-methoxyethylidene]oxolan-1-ium-5-one
• 化学式: C47H47N3O7
• InChiKey: GXFLVWBATSEGHY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.98
• 重原子数：
  57.0
• 可旋转键数：
  10.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  137.18
• 氢给体数：
  4.0
• 氢受体数：
  9.0