(-)-(2R,3S)-1-(4-β-D-glucopyranosyloxybenzyl)-2-O-β-D-glucopyranosyl-4-{4-[α-D-glucopyranosyl-(1->4)-β-D-glucopyranosyloxy]benzyl}-2-isobutyltartrate | 1010838-87-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (-)-(2R,3S)-1-(4-β-D-glucopyranosyloxybenzyl)-2-O-β-D-glucopyranosyl-4-{4-[α-D-glucopyranosyl-(1->4)-β-D-glucopyranosyloxy]benzyl}-2-isobutyltartrate
• 英文别名: 4-O-[[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]methyl] 1-O-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R,3S)-3-hydroxy-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate
• CAS: 1010838-87-5
• 化学式: C₄₆H₆₆O₂₈
• 分子量: 1067.01
• InChiKey: IUXBQJDSRKGILV-ZCCCHHFDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  74
• 可旋转键数：
  23
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  450
• 氢给体数：
  16
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  (-)-(2R,3S)-1-(4-β-D-glucopyranosyloxybenzyl)-2-O-β-D-glucopyranosyl-4-{4-[α-D-glucopyranosyl-(1->4)-β-D-glucopyranosyloxy]benzyl}-2-isobutyltartrate 在 sodium hydroxide 、 水 作用下， 反应 2.0h， 以2.4 mg的产率得到coelovirin E
  参考文献：
  名称：

  Glycosidic Constituents of the Tubers of Gymnadenia conopsea

  摘要：

  Ten minor new glycosidic constituents (1-10), together with 10 known compounds, have been isolated from a neuroprotective fraction of an ethanolic extract of the tubers of Gymnadenia conopsea. The structures of 1-10 were determined using spectroscopic and chemical methods. The compounds isolated were evaluated for activity in in vitro assays for acetylcholine esterase and monoamine oxidase inhibitory activities.

  DOI：

  10.1021/np070670j

文献信息

• Glycosidic Constituents of the Tubers of <i>Gymnadenia conopsea</i>
  作者：Jiachen Zi、Shuai Li、Mingtao Liu、Maoluo Gan、Sheng Lin、Weixia Song、Yanling Zhang、Xiaona Fan、Yongchun Yang、Jianjun Zhang、Jiangong Shi、Duolong Di

  DOI：10.1021/np070670j

  日期：2008.5.1

  Ten minor new glycosidic constituents (1-10), together with 10 known compounds, have been isolated from a neuroprotective fraction of an ethanolic extract of the tubers of Gymnadenia conopsea. The structures of 1-10 were determined using spectroscopic and chemical methods. The compounds isolated were evaluated for activity in in vitro assays for acetylcholine esterase and monoamine oxidase inhibitory activities.