kaempferol 3-O-α-L-rhamnopyranosyl(1'''→6'')-β-D-galactopyranoside-7-O-(2'''''-O-trans-feruloyl)-β-D-glucopyranosyl(1'''''→2''''')-β-D-glucopyranoside | 1624333-08-9

• 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: kaempferol 3-O-α-L-rhamnopyranosyl(1'''→6'')-β-D-galactopyranoside-7-O-(2'''''-O-trans-feruloyl)-β-D-glucopyranosyl(1'''''→2''''')-β-D-glucopyranoside
• 英文别名: kaempferol 3-O-robinoside-7-O-(2'''''-(E)-feruloyl)-sophoroside
• CAS: 1624333-08-9
• 化学式: C₄₉H₅₈O₂₈
• 分子量: 1094.98
• InChiKey: RGLTYJRMJNGYOE-DFZWEQFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.12
• 重原子数：
  77.0
• 可旋转键数：
  16.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  443.03
• 氢给体数：
  15.0
• 氢受体数：
  28.0

反应信息

• 作为反应物：
  描述：

  kaempferol 3-O-α-L-rhamnopyranosyl(1'''→6'')-β-D-galactopyranoside-7-O-(2'''''-O-trans-feruloyl)-β-D-glucopyranosyl(1'''''→2''''')-β-D-glucopyranoside 在 sodium hydroxide 作用下， 反应 2.0h， 生成 阿魏酸
  参考文献：
  名称：

  Three new flavonol glycosides fromSuaeda maritima

  摘要：

  Three new flavonol glycosides isolated from the 70% methanol extract of Suaeda maritima (Chenopodiaceae) were characterized based on spectroscopic and chemical methods as quercetin 3-O-alpha-l-rhamnopyranosyl(1 '''-> 6 '')-beta-d-galactopyranoside-7-O-beta-d-glucopyranosyl(1 '''''-> 2 '''')-glucopyranoside, kaempferol 3-O-alpha-l-rhamnopyranosyl(1 '''-> 6 '')-beta-d-galactopyranoside-7-O-beta-d-glucopyranosyl(1 '''''-> 2 '''')-glucopyranoside, and kaempferol 3-O-alpha-l-rhamnopyranosyl(1 '''-> 6 '')-beta-d-galactopyranoside-7-O-(2 '''''-O-trans-feruloyl)-beta-d-glucopyranosyl-(1 '''''-> 2 '''')-beta-d-glucopyranoside. In addition, four known compounds, namely, quercetin and kaempferol, methyl cis, trans-ferulate, and methyl trans-ferulate were identified. The plant extract and these compounds showed cytotoxic activity against the human tumor cell lines MCF7, HCT116, and HEPG2.

  DOI：

  10.1080/10286020.2014.902373