quercetin 3-O-α-L-rhamnopyranosyl(1'''→6'')-β-D-galactopyranoside-7-O-β-D-glucopyranosyl(1'''''→2''''')-β-D-glucopyranoside | 1609449-44-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: quercetin 3-O-α-L-rhamnopyranosyl(1'''→6'')-β-D-galactopyranoside-7-O-β-D-glucopyranosyl(1'''''→2''''')-β-D-glucopyranoside
• 英文别名: quercetin 3-O-robinoside-7-O-sophoroside；7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• CAS: 1609449-44-6
• 化学式: C₃₉H₅₀O₂₆
• 分子量: 934.81
• InChiKey: XPEIWSKZERJYMX-HGEJKOITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  65
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  424
• 氢给体数：
  16
• 氢受体数：
  26

反应信息

• 作为反应物：
  描述：

  quercetin 3-O-α-L-rhamnopyranosyl(1'''→6'')-β-D-galactopyranoside-7-O-β-D-glucopyranosyl(1'''''→2''''')-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 生成 L-鼠李糖 、 口服葡萄糖 、 D-古洛糖
  参考文献：
  名称：

  Studies on the flavone glycosides from Fructus Kochiae

  摘要：

  A series of flavone glycosides were isolated from Fructus Kochiae for the first time, including two new flavone glycosides. The structures were established by interpretation of their spectroscopic data. Two new flavone glycosides are quercetin 3-O-β-d-apiofuranosyl-(1 → 2)-β-d-galactopyranosyl-7-O-β-d-glucopyranoside (1) and quercetin 3-O-α-l-rhamnopyranosyl-(1 → 6)-β-d-galactopyranosyl-7-O-β-d-sophoroside (2). The others are quercetin 7-O-β-d-glucopyranoside (3), quercetin 3-O-β-d-apiofuranosyl-(1 → 2)-β-d-galactopyranoside (4), quercetin 3-O-β-d-galactopyranosyl-7-O-β-d-glucopyranoside (5), and quercetin 7-O-β-d-sophoroside (6).

  DOI：

  10.1080/10286020.2013.824427