(2R,5R)-3-[(2S,5S)-2-[(3S,6R)-6-[3-[(1S,3R)-3-[3-[(2R,5S)-5-[(2S,5S)-4-[(2R,5R)-2-carboxy-4-hydroxy-5-(methoxycarbonylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-(naphthalen-2-ylamino)-4-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxypropoxy]cyclohexyl]oxypropoxy]-2-(hydroxymethyl)-5-(naphthalen-2-ylamino)-4-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-(methoxycarbonylamino)-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: (2R,5R)-3-[(2S,5S)-2-[(3S,6R)-6-[3-[(1S,3R)-3-[3-[(2R,5S)-5-[(2S,5S)-4-[(2R,5R)-2-carboxy-4-hydroxy-5-(methoxycarbonylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-(naphthalen-2-ylamino)-4-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxypropoxy]cyclohexyl]oxypropoxy]-2-(hydroxymethyl)-5-(naphthalen-2-ylamino)-4-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-(methoxycarbonylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• 化学式: C90H131N4O48-
• 分子量: 2037.0
• InChiKey: XLGYDVUMLIXJFU-SGYIBZQQSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  142
• 可旋转键数：
  43
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  789
• 氢给体数：
  27
• 氢受体数：
  50