6-[[8,9-Dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2-methylbut-2-enoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(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: 6-[[8,9-Dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2-methylbut-2-enoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
• 英文别名: 6-[[8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2-methylbut-2-enoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
• 化学式: C₅₃H₈₄O₂₀
• 分子量: 1041.2
• InChiKey: SXXIWELTEQUGNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  73
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  321
• 氢给体数：
  11
• 氢受体数：
  20