(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-5-sulfooxy-6-[(2R,3S,4R,5S)-2,4,6-trihydroxy-5-(sulfoamino)-1-sulfooxyhexan-3-yl]oxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-5-sulfooxy-6-[(2R,3S,4R,5S)-2,4,6-trihydroxy-5-(sulfoamino)-1-sulfooxyhexan-3-yl]oxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
• 化学式: C₃₀H₅₃N₃O₄₉S₈
• 分子量: 1496.3
• InChiKey: NCVFNQDDYGRXMX-NPDMIMRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.7
• 重原子数：
  90
• 可旋转键数：
  33
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  895
• 氢给体数：
  21
• 氢受体数：
  52