(3aS,4R,6R,7R,7aR)-6-[[(2R,3R,4R,5S,6S)-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-7-hydroxy-4-(hydroxymethyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aS,4R,6R,7R,7aR)-6-[[(2R,3R,4R,5S,6S)-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-7-hydroxy-4-(hydroxymethyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
• 化学式: C₃₃H₅₂O₂₉
• 分子量: 912.7
• InChiKey: DEADMGPWNNWOPL-AAXUQJTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.6
• 重原子数：
  62
• 可旋转键数：
  14
• 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