GlcA(a1-2)[3,9-deoxy-D-gro-D-galNon2ulo5NAc7N-onic(a2-3)]LDManHep(a1-3)[Gal(b1-4)Glc(b1-4)][GlcA(b1-2)]DDManHep(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: GlcA(a1-2)[3,9-deoxy-D-gro-D-galNon2ulo5NAc7N-onic(a2-3)]LDManHep(a1-3)[Gal(b1-4)Glc(b1-4)][GlcA(b1-2)]DDManHep(a1-5)a-Kdo
• 英文别名: (2R,4R,5R,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,4S,5R,6S)-5-acetamido-6-[(1R,2R)-1-amino-2-hydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2S,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]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
• 化学式: C₅₇H₉₂N₂O₄₈
• 分子量: 1573.3
• InChiKey: DHRNHJCCGJBZDM-IWQSMSGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -18.8
• 重原子数：
  107
• 可旋转键数：
  29
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  828
• 氢给体数：
  30
• 氢受体数：
  49