(2R,3S,6S)-6-[(3R,4S,6S)-6-[(3R,5S,6R)-2-carboxy-6-[(3R,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,5R)-5-[(2R,3S,5S)-6-carboxy-4-methoxy-5-methylsulfanylperoxyperoxy-3-sulfooxyoxan-2-yl]oxy-4-methoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxyoxane-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,6S)-6-[(3R,4S,6S)-6-[(3R,5S,6R)-2-carboxy-6-[(3R,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,5R)-5-[(2R,3S,5S)-6-carboxy-4-methoxy-5-methylsulfanylperoxyperoxy-3-sulfooxyoxan-2-yl]oxy-4-methoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxyoxane-2-carboxylic acid
• 化学式: C₄₃H₇₀O₆₇S₁₁
• 分子量: 2011.7
• InChiKey: BBRNWTFCBSKMEL-YKMPLWOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.6
• 重原子数：
  121
• 可旋转键数：
  47
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  1050
• 氢给体数：
  13
• 氢受体数：
  68