6-[[4-Carboxy-8a-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-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-[[4-Carboxy-8a-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 英文别名: 6-[[4-carboxy-8a-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₅₉H₉₂O₃₀
• 分子量: 1281.3
• InChiKey: QZDDUWJKANNNBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.42
• 重原子数：
  89.0
• 可旋转键数：
  14.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  487.42
• 氢给体数：
  17.0
• 氢受体数：
  28.0