8a-[3-[4-[4-[(4-Carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-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: 8a-[3-[4-[4-[(4-Carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 英文别名: 8a-[3-[4-[4-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 化学式: C₇₀H₁₁₀O₃₇
• 分子量: 1543.6
• InChiKey: KFUGSEUTNAWVSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.5
• 重原子数：
  107
• 可旋转键数：
  24
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  593
• 氢给体数：
  20
• 氢受体数：
  37