6-[[8a-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-4-(hydroxymethyl)-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]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-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-[[8a-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-4-(hydroxymethyl)-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]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
• 英文别名: 6-[[8a-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-4-(hydroxymethyl)-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]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
• 化学式: C₆₁H₉₈O₂₇
• 分子量: 1263.4
• InChiKey: YHBGKFDPZHWRAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  88
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  441
• 氢给体数：
  16
• 氢受体数：
  27