4-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[10-(2,3-dimethyloxirane-2-carbonyl)oxy-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

• 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-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[10-(2,3-dimethyloxirane-2-carbonyl)oxy-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
• 英文别名: 4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[10-(2,3-dimethyloxirane-2-carbonyl)oxy-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
• 化学式: C₅₇H₈₈O₂₂
• 分子量: 1125.3
• InChiKey: YAHCESMXDBXUAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  79
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  340
• 氢给体数：
  10
• 氢受体数：
  22