6-[2-Carboxy-6-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-[2-Carboxy-6-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
• 英文别名: 6-[2-carboxy-6-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
• 化学式: C₃₃H₅₂O₂₉
• 分子量: 912.7
• InChiKey: DHESQIIVKIEXGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.1
• 重原子数：
  62
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  459
• 氢给体数：
  16
• 氢受体数：
  29