GalNAc(b1-3)Rha(a1-3)[LDManHep(a1-7)]LDManHep(a1-3)[LDManHep(a1-6)Glc(b1-4)]LDManHep(a1-5)[D-gro-D-talOct2ulo-onic(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: GalNAc(b1-3)Rha(a1-3)[LDManHep(a1-7)]LDManHep(a1-3)[LDManHep(a1-6)Glc(b1-4)]LDManHep(a1-5)[D-gro-D-talOct2ulo-onic(a2-4)]a-Kdo
• 英文别名: (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-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]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₆₄H₁₀₇NO₅₄
• 分子量: 1754.5
• InChiKey: SHAVWSLCBJSUMQ-ZWDRBAJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -19.9
• 重原子数：
  119
• 可旋转键数：
  33
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  908
• 氢给体数：
  35
• 氢受体数：
  54