(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2S,4S,5S)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(4-carboxy-2,6-dioxoheptyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多糖
• 英文名称: (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2S,4S,5S)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(4-carboxy-2,6-dioxoheptyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• 化学式: C₉₀H₁₄₆N₄O₆₃
• 分子量: 2292.1
• InChiKey: MQCGJNAPSYTIGX-CFWDYAIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -23.1
• 重原子数：
  157
• 可旋转键数：
  48
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  1060
• 氢给体数：
  37
• 氢受体数：
  63