8a-[6-[[6-[(4-Carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxycarbonyl-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-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-[6-[[6-[(4-Carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxycarbonyl-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 英文别名: 8a-[6-[[6-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxycarbonyl-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 化学式: C₆₆H₁₀₄O₃₅
• 分子量: 1457.5
• InChiKey: OUHDGDAFJQEJBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  101
• 可旋转键数：
  23
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  574
• 氢给体数：
  20
• 氢受体数：
  35