3-[2-(3,3-Dimethyloxiran-2-yl)-2-hydroxyethyl]-6-hydroxy-3,6b,10,12a,12b-pentamethyl-10-[2-(methylamino)ethyl]-5a-[[6-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-3a,4-dihydropyrrolo[3,2-b]pyrrol-4-ium-4-yl]methyl]-1,4,5,6,6a,7,8,10a,11,12-decahydrobenzo[j]aceanthrylene-2,9-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: 3-[2-(3,3-Dimethyloxiran-2-yl)-2-hydroxyethyl]-6-hydroxy-3,6b,10,12a,12b-pentamethyl-10-[2-(methylamino)ethyl]-5a-[[6-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-3a,4-dihydropyrrolo[3,2-b]pyrrol-4-ium-4-yl]methyl]-1,4,5,6,6a,7,8,10a,11,12-decahydrobenzo[j]aceanthrylene-2,9-dione
• 英文别名: 3-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-6-hydroxy-3,6b,10,12a,12b-pentamethyl-10-[2-(methylamino)ethyl]-5a-[[6-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-3a,4-dihydropyrrolo[3,2-b]pyrrol-4-ium-4-yl]methyl]-1,4,5,6,6a,7,8,10a,11,12-decahydrobenzo[j]aceanthrylene-2,9-dione
• 化学式: C54H76N3O6+
• 分子量: 863.2
• InChiKey: LCBDSRFMJQSIGV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  63
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  8