2,22-dideoxy-20-hydroxyecdysone 25-O-β-D-glucopyranoside | 1140954-68-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2,22-dideoxy-20-hydroxyecdysone 25-O-β-D-glucopyranoside
• 英文别名: (3S,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
• CAS: 1140954-68-2
• 化学式: C₃₃H₅₄O₁₀
• 分子量: 610.786
• InChiKey: VKAFQILVRDFOIB-DMLNGFPFSA-N

物化性质

• 沸点：
  790.4±60.0 °C(predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,22-dideoxy-20-hydroxyecdysone 25-O-β-D-glucopyranoside 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 葡萄糖
  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.