(2S,3R,4S)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5S,6S)-6-[(2R,3R,4S,5S,6R)-6-[(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-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3-amino-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3R,4S)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5S,6S)-6-[(2R,3R,4S,5S,6R)-6-[(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-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3-amino-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
• 化学式: C₆₄H₁₀₉N₅O₄₈
• 分子量: 1716.6
• InChiKey: RRYXYNAQZLNIFB-XHQNCDNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -24.6
• 重原子数：
  117
• 可旋转键数：
  34
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  880
• 氢给体数：
  32
• 氢受体数：
  52