[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2S,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-3,4-dimethoxy-6-[[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]methyl]-5-[(2S,5R,6S)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6S)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-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 hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2S,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-3,4-dimethoxy-6-[[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]methyl]-5-[(2S,5R,6S)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6S)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-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 hydrogen sulfate
• 化学式: C₇₁H₁₂₄N₄O₆₂S₉
• 分子量: 2314.3
• InChiKey: QWHZCAJERUVPSC-DHZBTDJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.4
• 重原子数：
  146
• 可旋转键数：
  68
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  966
• 氢给体数：
  13
• 氢受体数：
  67