4'-O-glucosylaciculatin | 1355022-37-5

• 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: 4'-O-glucosylaciculatin
• 英文别名: 8-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• CAS: 1355022-37-5
• 化学式: C₂₈H₃₂O₁₃
• 分子量: 576.554
• InChiKey: ZULIRTBISMVOJB-YZWJOIRQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  205
• 氢给体数：
  7
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  4'-O-glucosylaciculatin 在 β-glucosidase 作用下， 以 水 为溶剂， 反应 24.0h， 生成 可得然胶
  参考文献：
  名称：

  Cytotoxic Apigenin Derivatives from Chrysopogon aciculatis

  摘要：

  Four new apigenin derivatives, 7-de-O-methylaciculatin (I), 8-C-beta-D-boivinopyranosylapigenin (2), aciculatinone (3), and 4'-O-glucosylaciculatin (4), along with eight known compounds, apigenin-8-carbaldehyde (5), kaempferol, tricin, taxifolin, 6,7,4'-trihydroxyflavone, trans-oxyresveratrol, aciculatin, and luteolin-7-sulfate, were isolated from an ethanolic extract of Chrysopogon aciculatis. Their chemical structures were elucidated by spectroscopic methods. Among the known compounds, the natural occurrence of apigenin-8-carbaldehyde and luteolin-7-sulfate is demonstrated for the first time. Some of the isolates were evaluated for cytotoxic activity against human cancer cell lines including MCF-7, H460, HT-29, and CEM.

  DOI：

  10.1021/np2007796

文献信息

• Cytotoxic Apigenin Derivatives from <i>Chrysopogon aciculatis</i>
  作者：Chien-Chang Shen、Jing-Jy Cheng、Horng-Liang Lay、Szu-Yuan Wu、Ching-Li Ni、Che-Ming Teng、Chien-Chih Chen

  DOI：10.1021/np2007796

  日期：2012.2.24

  Four new apigenin derivatives, 7-de-O-methylaciculatin (I), 8-C-beta-D-boivinopyranosylapigenin (2), aciculatinone (3), and 4'-O-glucosylaciculatin (4), along with eight known compounds, apigenin-8-carbaldehyde (5), kaempferol, tricin, taxifolin, 6,7,4'-trihydroxyflavone, trans-oxyresveratrol, aciculatin, and luteolin-7-sulfate, were isolated from an ethanolic extract of Chrysopogon aciculatis. Their chemical structures were elucidated by spectroscopic methods. Among the known compounds, the natural occurrence of apigenin-8-carbaldehyde and luteolin-7-sulfate is demonstrated for the first time. Some of the isolates were evaluated for cytotoxic activity against human cancer cell lines including MCF-7, H460, HT-29, and CEM.