[(3S,6R)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-4-methyl-3-[(2S,5S)-4-methyl-5-oxidoperoxysulfanyloxy-3-sulfinatoperoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl sulfate;(3S,6R)-6-[(3R,4S,6S)-6-[[(1R,4R,6R)-2-formyloxy-5,7-dimethyl-4-[(3R,6R)-6-methyl-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-oxabicyclo[4.1.0]heptan-7-yl]oxy]-2-(sulfinatoperoxymethyl)-4,5-disulfonatooxyoxan-3-yl]oxy-3-[(2S,5S)-5-methoxy-3,4-dimethyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethyloxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3S,6R)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-4-methyl-3-[(2S,5S)-4-methyl-5-oxidoperoxysulfanyloxy-3-sulfinatoperoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl sulfate;(3S,6R)-6-[(3R,4S,6S)-6-[[(1R,4R,6R)-2-formyloxy-5,7-dimethyl-4-[(3R,6R)-6-methyl-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-oxabicyclo[4.1.0]heptan-7-yl]oxy]-2-(sulfinatoperoxymethyl)-4,5-disulfonatooxyoxan-3-yl]oxy-3-[(2S,5S)-5-methoxy-3,4-dimethyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethyloxane-2-carboxylate
• 化学式: C73H114O66S11-12
• 分子量: 2400.4
• InChiKey: RBOALJBRDJRHRS-LAWRYEGDSA-B

计算性质

• 辛醇/水分配系数(LogP)：
  -6.0
• 重原子数：
  150
• 可旋转键数：
  40
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  1060
• 氢给体数：
  0
• 氢受体数：
  69