4-[1-Hydroxy-2-[15-methyl-3-[[6,8,16-trihydroxy-7-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-8-azatetracyclo[11.8.0.01,6.013,18]henicos-11-yn-19-yl]ethyl]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-[1-Hydroxy-2-[15-methyl-3-[[6,8,16-trihydroxy-7-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-8-azatetracyclo[11.8.0.01,6.013,18]henicos-11-yn-19-yl]ethyl]pyrrolidin-2-one
• 英文别名: 4-[1-hydroxy-2-[15-methyl-3-[[6,8,16-trihydroxy-7-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-8-azatetracyclo[11.8.0.01,6.013,18]henicos-11-yn-19-yl]ethyl]pyrrolidin-2-one
• 化学式: C₅₄H₇₈N₂O₁₂S₂
• 分子量: 1011.3
• InChiKey: CASLXKFXDLNWOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  70
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  270
• 氢给体数：
  9
• 氢受体数：
  15