trans-p-coumaryl alcohol-O-β-D-xylopyranosyl(1→4)-α-L-rhamnopyranosyl(1→3)(4-O-trans-caffeoyl)-β-D-glucopyranoside

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-p-coumaryl alcohol-O-β-D-xylopyranosyl(1→4)-α-L-rhamnopyranosyl(1→3)(4-O-trans-caffeoyl)-β-D-glucopyranoside
• 英文别名: rossicaside J；[(2R,3R,4R,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• 化学式: C₃₅H₄₄O₁₈
• 分子量: 752.724
• InChiKey: JRMUHPWKPDMILT-VFTDKTGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  53
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  284
• 氢给体数：
  10
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  trans-p-coumaryl alcohol-O-β-D-xylopyranosyl(1→4)-α-L-rhamnopyranosyl(1→3)(4-O-trans-caffeoyl)-β-D-glucopyranoside 在 盐酸 、 水 作用下， 反应 3.0h， 生成 D-吡喃木糖 、 D-葡萄糖 、 L-rhamnopyranose
  参考文献：
  名称：

  Triglyceride accumulation inhibitory effects of phenylpropanoid glycosides from Boschniakia rossica Fedtsch et Flerov

  摘要：

  Bioassay-guided fractionation led to isolation of five new phenylpropanol glycosides, rossicasides G (1), H (2), I (3), J (4), and K (5), together with seven known compounds (6-12) from Boschniakia rossica. Their structures were elucidated by chemical and spectroscopic methods (UV, IR, HRESI-TOF-MS, 1D and 2D NMR). Activity screening results showed that some isolates had TG accumulation inhibitory effects in HepG2 cells. Furthermore, the structure-activity relationship was partly clarified. (C) 2012 Published by Elsevier B.V.

  DOI：

  10.1016/j.fitote.2012.12.031