2,8-Dihydroxy-8a-[4-hydroxy-3-[4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-5-[3-(3-hydroxy-2-methylbutanoyl)oxy-2-methylbutanoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-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: 2,8-Dihydroxy-8a-[4-hydroxy-3-[4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-5-[3-(3-hydroxy-2-methylbutanoyl)oxy-2-methylbutanoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-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: 2,8-dihydroxy-8a-[4-hydroxy-3-[4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-5-[3-(3-hydroxy-2-methylbutanoyl)oxy-2-methylbutanoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-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: C₆₈H₁₀₈O₃₂
• 分子量: 1437.6
• InChiKey: GXOXFJJIVVLIFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  100
• 可旋转键数：
  21
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  503
• 氢给体数：
  16
• 氢受体数：
  32