6-[[8,9-Dihydroxy-8a-(hydroxymethyl)-10-[3-hydroxy-5-(2-methylbut-2-enoyloxy)-4-[2-methyl-3-(2-methylbut-2-enoyloxy)butanoyl]oxyoxan-2-yl]oxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-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-8a-(hydroxymethyl)-10-[3-hydroxy-5-(2-methylbut-2-enoyloxy)-4-[2-methyl-3-(2-methylbut-2-enoyloxy)butanoyl]oxyoxan-2-yl]oxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
• 英文别名: 6-[[8,9-dihydroxy-8a-(hydroxymethyl)-10-[3-hydroxy-5-(2-methylbut-2-enoyloxy)-4-[2-methyl-3-(2-methylbut-2-enoyloxy)butanoyl]oxyoxan-2-yl]oxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
• 化学式: C₆₈H₁₀₆O₂₉
• 分子量: 1387.5
• InChiKey: CTLVYTFKAWUUQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  97
• 可旋转键数：
  22
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  453
• 氢给体数：
  14
• 氢受体数：
  29