5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-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: 5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
• 英文别名: 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
• 化学式: C₅₅H₈₈O₂₃
• 分子量: 1117.3
• InChiKey: SNGLLOLPTQVOFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  78
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  382
• 氢给体数：
  14
• 氢受体数：
  23