GlcA(a1-3)[LDManHep(a1-7)]LDManHep(a1-3)[GalA(b1-6)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: GlcA(a1-3)[LDManHep(a1-7)]LDManHep(a1-3)[GalA(b1-6)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]-2-carboxy-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-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-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
• 化学式: C₆₇H₁₁₁N₂O₆₁P
• 分子量: 1951.5
• InChiKey: CWFDMUJGLYNMGC-UTYIWVDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -27.7
• 重原子数：
  131
• 可旋转键数：
  37
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  1050
• 氢给体数：
  38
• 氢受体数：
  63