4-Hydroxy-6-[[8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(3-methylbutanoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-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-Hydroxy-6-[[8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(3-methylbutanoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
• 英文别名: 4-hydroxy-6-[[8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(3-methylbutanoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
• 化学式: C₅₃H₈₆O₂₁
• 分子量: 1059.2
• InChiKey: KYRFYNKVHALMGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  74
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  342
• 氢给体数：
  12
• 氢受体数：
  21