disodium;(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-6-[2-[3-[2-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5R,6R)-4-[(2R,4S,5S,6S)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-(naphthalene-2-carbonylamino)-4-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyethyl]phenyl]ethoxy]-2-(hydroxymethyl)-5-(naphthalene-2-carbonylamino)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: disodium;(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-6-[2-[3-[2-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5R,6R)-4-[(2R,4S,5S,6S)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-(naphthalene-2-carbonylamino)-4-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyethyl]phenyl]ethoxy]-2-(hydroxymethyl)-5-(naphthalene-2-carbonylamino)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• 化学式: C90H120N4Na2O46
• 分子量: 2039.9
• InChiKey: OAJDIWODZAVCPU-AHARWHLRSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -19.38
• 重原子数：
  142
• 可旋转键数：
  36
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  789
• 氢给体数：
  26
• 氢受体数：
  46