(2S,5R)-5-acetamido-2-[(2S,4S,5S)-2-[(3S,4R,6R)-5-acetamido-6-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[(2-acetamidoacetyl)amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-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 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,5R)-5-acetamido-2-[(2S,4S,5S)-2-[(3S,4R,6R)-5-acetamido-6-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[(2-acetamidoacetyl)amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-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: C₆₀H₉₇N₁₁O₃₃
• 分子量: 1500.5
• InChiKey: ROPBAFGHZAOKOZ-KFJONIKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.9
• 重原子数：
  104
• 可旋转键数：
  32
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  670
• 氢给体数：
  22
• 氢受体数：
  33