(1S,3R,4S,5R)-4-acetamido-1-[(2S,3S,4S,5R,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]cyclohexane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (1S,3R,4S,5R)-4-acetamido-1-[(2S,3S,4S,5R,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]cyclohexane-1-carboxylic acid
• 化学式: C₃₂H₅₄N₂O₂₂
• 分子量: 818.8
• InChiKey: DIACHMFFHKKXHX-ZLRUHKEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.7
• 重原子数：
  56
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  394
• 氢给体数：
  15
• 氢受体数：
  22