5-Acetamido-2-[[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(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: 5-Acetamido-2-[[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 化学式: C₃₇H₆₂N₂O₂₉
• 分子量: 998.9
• InChiKey: SFMRPVLZMVJKGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.2
• 重原子数：
  68
• 可旋转键数：
  22
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  510
• 氢给体数：
  19
• 氢受体数：
  29

文献信息

• [EN] COMPOSITIONS COMPRISING ONE OR MORE HMO'S WITH A CORE OF LacNAc-Lac<br/>[FR] COMPOSITIONS COMPRENANT UN OU PLUSIEURS OLH AYANT UN SQUELETTE DE LACNAC-LAC
  申请人：FRIESLANDCAMPINA NEDERLAND BV

  公开号：WO2021191251A1

  公开（公告）日：2021-09-30

  A synthetic composition comprising one or more compounds according to formula (1), or a pharmaceutically acceptable salt, solvate or ester thereof, for use in the modulation of one or more of: i. the cholesterol level; ii. lipolysis; iii. glucose uptake; iv. CD36 receptor activity; wherein the compound of Formula 1 is Yn→D-Gal-β1→3-(Ym→)(Xp→)D-GlcNAc-β1→3-D-Gal-β1→4-(Xq→)-D-Glc (Formula (1)), wherein X is α-L-Fucose (α-L-Fuc), Y is N-acetyl-D-neuraminic acid (Neu5Ac-α-2-), n, m, p, q indicate the number of the monosaccharide residues present in the compound of formula (1) and n is 0 or 1; m is 0 or 1; p is 0 or 1; q is 0 or 1; and n+m+p+q ≥ 1.