(2S,4S,5R,6S)-5-acetamido-2-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3R,4R,6R)-6-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxan-3-yl]oxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-4-yl]oxy-3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-4-yl]oxy-6-[(1R,2R)-1-amino-2-hydroxypropyl]-4-hydroxyoxane-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,4S,5R,6S)-5-acetamido-2-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3R,4R,6R)-6-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxan-3-yl]oxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-4-yl]oxy-3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-4-yl]oxy-6-[(1R,2R)-1-amino-2-hydroxypropyl]-4-hydroxyoxane-2-carboxylic acid
• 化学式: C₆₉H₁₁₆N₄O₅₆
• 分子量: 1897.7
• InChiKey: JXHYFUNBRWZJTK-LTCGJZATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -28.6
• 重原子数：
  129
• 可旋转键数：
  39
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  1010
• 氢给体数：
  37
• 氢受体数：
  59