4-[2-[2-[[10-(4-Ethyl-5,6-dihydropyrrolo[2,3-c]pyrrol-5-ium-5-yl)-2,8-dimethyl-6-oxo-2-[2-(5-oxopyrrolidin-3-yl)ethyl]-3,4-dihydropyrano[3,2-g]chromen-3-yl]peroxy]-1-hydroxyethyl]-2,3,4,5-tetrahydroxypentyl]-3a,4-dihydropyrrolo[3,2-b]pyrrol-4-ium-5-olate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-[2-[2-[[10-(4-Ethyl-5,6-dihydropyrrolo[2,3-c]pyrrol-5-ium-5-yl)-2,8-dimethyl-6-oxo-2-[2-(5-oxopyrrolidin-3-yl)ethyl]-3,4-dihydropyrano[3,2-g]chromen-3-yl]peroxy]-1-hydroxyethyl]-2,3,4,5-tetrahydroxypentyl]-3a,4-dihydropyrrolo[3,2-b]pyrrol-4-ium-5-olate
• 英文别名: 4-[2-[2-[[10-(4-ethyl-5,6-dihydropyrrolo[2,3-c]pyrrol-5-ium-5-yl)-2,8-dimethyl-6-oxo-2-[2-(5-oxopyrrolidin-3-yl)ethyl]-3,4-dihydropyrano[3,2-g]chromen-3-yl]peroxy]-1-hydroxyethyl]-2,3,4,5-tetrahydroxypentyl]-3a,4-dihydropyrrolo[3,2-b]pyrrol-4-ium-5-olate
• 化学式: C41H50N5O12+
• 分子量: 804.9
• InChiKey: PXQGUAGYKIMQOM-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  58
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  241
• 氢给体数：
  8
• 氢受体数：
  14