Gal(b1-4)Glc(a1-3)[GlcNAc(a1-2)]LDManHep(a1-3)[Gal(a1-4)Gal(b1-4)Glc(b1-4)]LDManHep(a1-5)[Kdo(a2-4)]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)Glc(a1-3)[GlcNAc(a1-2)]LDManHep(a1-3)[Gal(a1-4)Gal(b1-4)Glc(b1-4)]LDManHep(a1-5)[Kdo(a2-4)]a-Kdo
• 英文别名: (2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
• 化学式: C₆₈H₁₁₃NO₅₇
• 分子量: 1856.6
• InChiKey: DJXVXMWCCRNERL-YJRUVBQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -21.4
• 重原子数：
  126
• 可旋转键数：
  35
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  947
• 氢给体数：
  36
• 氢受体数：
  57