(2S,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-5-[4-[6-[3-[[3-[[6-[4-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyanilino]-6-oxohexyl]amino]-3-oxopropyl]disulfanyl]propanoylamino]hexanoylamino]phenoxy]-3,4-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-5-[4-[6-[3-[[3-[[6-[4-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyanilino]-6-oxohexyl]amino]-3-oxopropyl]disulfanyl]propanoylamino]hexanoylamino]phenoxy]-3,4-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylate
• 化学式: C98H126N4O120S22-24
• 分子量: 3985.0
• InChiKey: WSSRSLDSHAWXOZ-IGILASKZSA-A

计算性质

• 辛醇/水分配系数(LogP)：
  -20.8
• 重原子数：
  244
• 可旋转键数：
  75
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  2080
• 氢给体数：
  4
• 氢受体数：
  122