β-D-(1-O-acetyl-3,6-O-p-E-dicoumaroyl)-fructofuranosyl-α-D-(4'-O-acetyl-2'-O-p-E-coumaroyl)-glucopyranoside | 1140954-78-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: β-D-(1-O-acetyl-3,6-O-p-E-dicoumaroyl)-fructofuranosyl-α-D-(4'-O-acetyl-2'-O-p-E-coumaroyl)-glucopyranoside
• 英文别名: [(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-5-acetyloxy-4-hydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-5-(acetyloxymethyl)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
• CAS: 1140954-78-4
• 化学式: C₄₃H₄₄O₁₉
• 分子量: 864.811
• InChiKey: AGITZPRBGCTZIK-LVQIUFOQSA-N

物化性质

• 沸点：
  1030.2±65.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  62
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  281
• 氢给体数：
  6
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  β-D-(1-O-acetyl-3,6-O-p-E-dicoumaroyl)-fructofuranosyl-α-D-(4'-O-acetyl-2'-O-p-E-coumaroyl)-glucopyranoside 在 氢氧化钾 、 水 、 盐酸 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 反式-2-羟基肉桂酸 、 蔗糖
  参考文献：
  名称：

  Ecdysteroids and a sucrose phenylpropanoid ester from Froelichia floridana

  摘要：

  Phytoecdysteroid glycosides (1-5) and a phenylpropanoid ester of sucrose (6) were isolated from the whole plant of Froelichia floridana, along with eight known compounds including three ecdysteroids (7-9), four flavonoids (10-13), and one phenolic compound (14). Structures were determined using a combination of spectroscopic techniques. Compounds 1, 2 and 6-14 were tested in vitro for their activity against human DNA topoisomerase I. Compound 13 (diosmetin) showed marginal inhibition against topoisomerase I with IC50 of 130 mu M in conjunction with low intercalation ability. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2009.01.017

文献信息

• Ecdysteroids and a sucrose phenylpropanoid ester from Froelichia floridana
  作者：Ping Wang、Shiyou Li、Stacy Ownby、Zhizhen Zhang、Wei Yuan、Wanli Zhang、R. Scott Beasley

  DOI：10.1016/j.phytochem.2009.01.017

  日期：2009.2

  Phytoecdysteroid glycosides (1-5) and a phenylpropanoid ester of sucrose (6) were isolated from the whole plant of Froelichia floridana, along with eight known compounds including three ecdysteroids (7-9), four flavonoids (10-13), and one phenolic compound (14). Structures were determined using a combination of spectroscopic techniques. Compounds 1, 2 and 6-14 were tested in vitro for their activity against human DNA topoisomerase I. Compound 13 (diosmetin) showed marginal inhibition against topoisomerase I with IC50 of 130 mu M in conjunction with low intercalation ability. (C) 2009 Elsevier Ltd. All rights reserved.