(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,4R,5R)-5-acetamido-6-[2-[(2S,4R,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,4R,5R)-5-acetamido-6-[2-[(2S,4R,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 化学式: C₆₀H₉₈N₄O₄₅
• 分子量: 1595.4
• InChiKey: HISVULODBSSCOO-VXSYDVJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.4
• 重原子数：
  109
• 可旋转键数：
  33
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  782
• 氢给体数：
  28
• 氢受体数：
  45