2,3-dihydro-2-(4'-O-β-D-glucopyranosyl-3'-methoxy-phenyl)-3-hydroxymethyl-5-(3-hydroxypropyl)-7-methoxybenzofuran | 380600-84-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2,3-dihydro-2-(4'-O-β-D-glucopyranosyl-3'-methoxy-phenyl)-3-hydroxymethyl-5-(3-hydroxypropyl)-7-methoxybenzofuran
• 英文别名: dihydrodehydrodiconiferyl alcohol‐4‐O‐β‐D‐glucoside；dihydrodehydrodiconiferyl alcohol 4'-O-β-D-glucopyranoside；Dihydrodehydrodiconiferyl alcohol-4-O-β-D-glucopyranoside；dihydrodehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside；dihydrodehydrodiconiferyl alcohol 4'-O-β-D-glucoside；(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
• CAS: 380600-84-0
• 化学式: C₂₆H₃₄O₁₁
• 分子量: 522.549
• InChiKey: NYAPVWGUAUDHRY-RAGYRXETSA-N

物化性质

• 沸点：
  736.5±60.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  168
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2,3-dihydro-2-(4'-O-β-D-glucopyranosyl-3'-methoxy-phenyl)-3-hydroxymethyl-5-(3-hydroxypropyl)-7-methoxybenzofuran 在 cellulase 作用下， 以 乙醇 为溶剂， 以50 mg的产率得到4-[3-Hydroxymethyl-5-(3-hydroxy-propyl)-7-methoxy-2,3-dihydro-benzofuran-2-yl]-2-methoxy-phenol
  参考文献：
  名称：

  Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 10, p. 4340 - 4345

  摘要：

  DOI：

文献信息

• A new <i>seco</i>-neolignan glycoside from the root bark of <i>Ailanthus altissima</i>
  作者：Qing-Wei Tan、Ming-An Ouyang、Zu-Jian Wu

  DOI：10.1080/14786419.2011.587187

  日期：2012.8.1

  A new seco-neolignan glycoside, seco-dehydrodiconiferyl alcohol-4-O-beta-D-glucopyranoside (1), together with eight known compounds, were obtained from the EtOH extract of the root bark of Ailanthus altissima. Their structures were elucidated based on the spectroscopic data. Three neolignan glycosides including 7,9,9'-trihydroxy-3,3',5'-trimethoxy-8-O-4'-neolignan-4-O-beta-D-glucopyranoside (5), sonchifolignan B (6) and citrusin B (7) exhibited moderate in vitro inhibitory effect on tobacco mosaic virus replication with I-C50 values 0.30, 0.35 and 0.26 mmol L-1, respectively.
• Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 10, p. 4340 - 4345
  作者：Abe, Fumiko、Yamauchi, Tatsuo

  DOI：——

  日期：——