4-[10-(4,5-Dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl)-3-[2-[(4,7-dihydroxynaphthalen-1-yl)methyl]-2,3,4,5,6-pentahydroxyhexyl]peroxy-8-methyl-4'-(methylaminomethyl)-6-oxospiro[3,4-dihydropyrano[3,2-g]chromene-2,5'-cyclohex-2-ene]-1'-yl]pyrrolidin-2-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: 4-[10-(4,5-Dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl)-3-[2-[(4,7-dihydroxynaphthalen-1-yl)methyl]-2,3,4,5,6-pentahydroxyhexyl]peroxy-8-methyl-4'-(methylaminomethyl)-6-oxospiro[3,4-dihydropyrano[3,2-g]chromene-2,5'-cyclohex-2-ene]-1'-yl]pyrrolidin-2-one
• 英文别名: 4-[10-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl)-3-[2-[(4,7-dihydroxynaphthalen-1-yl)methyl]-2,3,4,5,6-pentahydroxyhexyl]peroxy-8-methyl-4'-(methylaminomethyl)-6-oxospiro[3,4-dihydropyrano[3,2-g]chromene-2,5'-cyclohex-2-ene]-1'-yl]pyrrolidin-2-one
• 化学式: C47H53N4O13+
• 分子量: 881.9
• InChiKey: AWRWZFOXQWMCHQ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  64
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  254
• 氢给体数：
  10
• 氢受体数：
  15