(2R,3R,4S)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-carboxy-2-[(1R)-2-hydroxy-1-phosphonooxyethyl]-4-phosphonooxyoxan-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-4-yl]oxy-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]oxy-6-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-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,3R,4S)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-carboxy-2-[(1R)-2-hydroxy-1-phosphonooxyethyl]-4-phosphonooxyoxan-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-4-yl]oxy-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]oxy-6-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
• 化学式: C₈₆H₁₄₇N₄O₇₇P₃
• 分子量: 2562.0
• InChiKey: POAMQGRHFGZPPG-QHFNFIHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -37
• 重原子数：
  170
• 可旋转键数：
  50
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  1320
• 氢给体数：
  47
• 氢受体数：
  80