(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-methyl-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2S,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多糖
• 英文名称: (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-methyl-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2S,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate
• 化学式: C100H143NO95S12-14
• 分子量: 3264.0
• InChiKey: GUCPVDAZZFHDEO-RUQMFVQRSA-A

计算性质

• 辛醇/水分配系数(LogP)：
  -15.83
• 重原子数：
  208
• 可旋转键数：
  75
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  1420
• 氢给体数：
  2
• 氢受体数：
  102