NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)LDManHep(a1-6)Glc(b1-4)[LDManHep(a1-2)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: NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)LDManHep(a1-6)Glc(b1-4)[LDManHep(a1-2)LDManHep(a1-3)]LDManHep(a1-5)a-Kdo
• 英文别名: (2R,4R,5R,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
• 化学式: C₆₇H₁₁₂N₂O₅₅
• 分子量: 1825.6
• InChiKey: VAOYGNGYNZQRHW-HPOJIYKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -21.7
• 重原子数：
  124
• 可旋转键数：
  36
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  937
• 氢给体数：
  36
• 氢受体数：
  55