(2R,3S)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-2-carboxylato-6-[(2S,3R,6S)-4,6-dimethoxy-5-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,5R,6S)-5-[(2R,4R,5S)-6-carboxylato-4-methoxy-5-oxidoperoxysulfanyloxy-3-sulfonatooxyoxan-2-yl]oxy-4-methoxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfonatooxyoxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3S)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-2-carboxylato-6-[(2S,3R,6S)-4,6-dimethoxy-5-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,5R,6S)-5-[(2R,4R,5S)-6-carboxylato-4-methoxy-5-oxidoperoxysulfanyloxy-3-sulfonatooxyoxan-2-yl]oxy-4-methoxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfonatooxyoxane-2-carboxylate
• 化学式: C42H54O67S11-14
• 分子量: 1983.6
• InChiKey: JBXVQFLRXKTNFW-GFOGUPNVSA-A

计算性质

• 辛醇/水分配系数(LogP)：
  -12.1
• 重原子数：
  120
• 可旋转键数：
  32
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  1100
• 氢给体数：
  0
• 氢受体数：
  68