3,4-dihydroxy-β-phenylethoxy-O-α-L-arabinopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-4-O-feruloyl-β-D-glucopyronoside | 131862-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-dihydroxy-β-phenylethoxy-O-α-L-arabinopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-4-O-feruloyl-β-D-glucopyronoside
• 英文别名: Stachysoside C；leonoside A；[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• CAS: 131862-11-8
• 化学式: C₃₅H₄₆O₁₉
• 分子量: 770.739
• InChiKey: ZPJGTPAAEPXBQT-KMKHSNLESA-N

物化性质

• 沸点：
  1007.5±65.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  293
• 氢给体数：
  10
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  3,4-dihydroxy-β-phenylethoxy-O-α-L-arabinopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-4-O-feruloyl-β-D-glucopyronoside 、 乙酸酐 生成 [(2R,3R,4R,5R,6R)-5-acetyloxy-2-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-diacetyloxyphenyl)ethoxy]oxan-3-yl] (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
  参考文献：
  名称：

  MIYASE, TOSHIO;UENO, AKIRA;KITANI, TETSUYA;KOBAYASHI, HIROMI;KAWAHARA, YU+, YAKUGAKU DZASSI, 110,(1990) N, S. 652-657

  摘要：

  DOI：

文献信息

• Phenylpropanoids from Callus Tissue of Ajuga turkestanica
  作者：K. A. Eshbakova、R. P. Zakirova、Kh. I. Khasanova、Kh. M. Bobakulov、H. A. Aisa、Sh. Sh. Sagdullaev、A. M. Nosov

  DOI：10.1007/s10600-019-02608-8

  日期：2019.1

  Phenylpropanoids 3,4-dihydroxy-β-phenylethoxy-O-α-L-arabinopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-4-O-caffeoyl-β-D-glucopyranoside (1) and 3,4-dihydroxy-β-phenylethoxy-O-α-L-arabinopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-4-O-feruloyl-β-D-glucopyronoside (2) were isolated for the first time during studies of the chemical composition of Ajuga turkestanica (Regel) Briq. callus tissue.

  3,4-二羟基-β-苯乙氧基-O-α-L-阿拉伯吡喃糖基-(1→2)-α-L-鼠李糖基-(1→3)-4-O-咖啡酰-β-D-吡喃葡萄糖苷 (1) 和 3、在对 Ajuga turkestanica (Regel) Briq.茧组织的化学成分。