Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc(b1-4)[GlcNAc(b1-2)[Glc(a1-3)]LDManHep(a1-3)]LDManHep(a1-5)a-Kdo

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc(b1-4)[GlcNAc(b1-2)[Glc(a1-3)]LDManHep(a1-3)]LDManHep(a1-5)a-Kdo
• 英文别名: (2R,4R,5R,6R)-5-[(2S,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
• 化学式: C₆₂H₁₀₄N₂O₅₀
• 分子量: 1677.5
• InChiKey: XBJGTJCNBHCHME-ASPAFOGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -19
• 重原子数：
  114
• 可旋转键数：
  31
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  839
• 氢给体数：
  32
• 氢受体数：
  50