(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R,6R)-5-acetyloxy-2-carboxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hexanoyloxy-6-[(2R,3R,4R,5R)-4-hexanoyloxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-hexanoyloxyoxan-3-yl]oxy-4-hexanoyloxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-acetyloxy-4-hexanoyloxy-3-hydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R,6R)-5-acetyloxy-2-carboxy-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hexanoyloxy-6-[(2R,3R,4R,5R)-4-hexanoyloxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-hexanoyloxyoxan-3-yl]oxy-4-hexanoyloxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-acetyloxy-4-hexanoyloxy-3-hydroxyoxane-2-carboxylic acid
• 化学式: C₇₂H₁₁₄N₂O₅₇S₆
• 分子量: 2112.1
• InChiKey: MCVYDMQQRGPZCU-YJDIKDIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  137
• 可旋转键数：
  64
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  902
• 氢给体数：
  13
• 氢受体数：
  58