D-Fuc(a1-3)Man(a1-3)QuiNAc(a1-4)Kdo(a2-6)Gal(a1-6)[GalA(a1-4)]Man(a1-5)[GalA(a1-4)[GalA(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: D-Fuc(a1-3)Man(a1-3)QuiNAc(a1-4)Kdo(a2-6)Gal(a1-6)[GalA(a1-4)]Man(a1-5)[GalA(a1-4)[GalA(a1-5)]Kdo(a2-4)]a-Kdo
• 英文别名: (2R,4R,5R,6R)-5-[(2R,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-[(2R,4R,5R,6R)-2-carboxy-4,5-bis[[(2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy]-6-[(1R)-1,2-dihydroxyethyl]oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid
• 化学式: C₇₄H₁₁₅NO₆₃
• 分子量: 2026.7
• InChiKey: ULNQRIOFLJPQDT-IHPDIIAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -19.8
• 重原子数：
  138
• 可旋转键数：
  36
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  1030
• 氢给体数：
  36
• 氢受体数：
  63