GlcN(a1-4)GlcA(a1-3)[LDManHep(a1-7)]LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[Kdo(a2-4)]Kdo(a2-6)GlcN4P(b1-6)a-GlcN

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: GlcN(a1-4)GlcA(a1-3)[LDManHep(a1-7)]LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[Kdo(a2-4)]Kdo(a2-6)GlcN4P(b1-6)a-GlcN
• 英文别名: (2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-[[(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]-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
• 化学式: C₆₇H₁₁₄N₃O₅₉P
• 分子量: 1936.6
• InChiKey: DNWJZXZXJHLNHY-NSKKSFBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -30.5
• 重原子数：
  130
• 可旋转键数：
  37
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  1040
• 氢给体数：
  38
• 氢受体数：
  62