5-Acetamido-2-[2-[[4-[5-acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxydocosanoylamino)-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-4-carboxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)cyclohexyl]amino]-2-oxoethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 5-Acetamido-2-[2-[[4-[5-acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxydocosanoylamino)-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-4-carboxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)cyclohexyl]amino]-2-oxoethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 英文别名: 5-acetamido-2-[2-[[4-[5-acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxydocosanoylamino)-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-4-carboxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)cyclohexyl]amino]-2-oxoethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 化学式: C₈₅H₁₅₂N₄O₃₈
• 分子量: 1838.1
• InChiKey: OXHIYASXZWGZIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  127
• 可旋转键数：
  62
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  696
• 氢给体数：
  26
• 氢受体数：
  38