(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-6-[(1S)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxyethyl]-2-[(2R,3S,4R,5R,6R)-2-[(2R,3S,4R,6R)-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-6-[(1S)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxyethyl]-2-[(2R,3S,4R,5R,6R)-2-[(2R,3S,4R,6R)-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• 化学式: C₆₈H₁₂₁N₃O₆₆P₄
• 分子量: 2160.6
• InChiKey: NZERHTMTCOZNGA-LABQVNLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -30.8
• 重原子数：
  141
• 可旋转键数：
  48
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  1120
• 氢给体数：
  39
• 氢受体数：
  68