2-O-β-D-glucopyranosyl-1,2,8-trihydroxy-6-methylanthraquinone

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-O-β-D-glucopyranosyl-1,2,8-trihydroxy-6-methylanthraquinone
• 英文别名: 1,8-dihydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
• 化学式: C₂₁H₂₀O₁₀
• 分子量: 432.384
• InChiKey: PCVQWUYBNGMJCX-VKNQLNASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  174
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-O-β-D-glucopyranosyl-1,2,8-trihydroxy-6-methylanthraquinone 在 β-glucosidase 作用下， 以 甲醇 、 水 为溶剂， 生成 D-葡萄糖 、 nataloe-emodin
  参考文献：
  名称：

  Anthraquinone, anthrone and phenylpyrone components of Aloe nyeriensis var. kedongensis leaf exudate

  摘要：

  The leaf exudate of Aloe nyeriensis var. kedongensis yielded six compounds which were identified on the basis of spectral data and inter-conversions as two groups of three allied compounds. These were (a) 4-methoxy-6-(2'',4''-dihydroxy-6''-methylphenyl)-pyran-2-one, its 2''-O-.beta.-D-glucopyranoside (aloenin) and the 2"-O-p-coumaroyl ester of aloenin, (b) the anthracene derivatives 1,2,8-trihydroxy-6-methylanthraquinone (nataloe-emodin), its 2-O-.beta.-D-glucopyranosyl ester and the corresponding 10-C-.beta.-D-glucopyranoside nataloin.

  DOI：

  10.1016/s0031-9422(00)84578-1

文献信息

• Anthraquinone, anthrone and phenylpyrone components of Aloe nyeriensis var. kedongensis leaf exudate
  作者：John M. Conner、Alexander I. Gray、Tom Reynolds、Peter G. Waterman

  DOI：10.1016/s0031-9422(00)84578-1

  日期：——

  The leaf exudate of Aloe nyeriensis var. kedongensis yielded six compounds which were identified on the basis of spectral data and inter-conversions as two groups of three allied compounds. These were (a) 4-methoxy-6-(2'',4''-dihydroxy-6''-methylphenyl)-pyran-2-one, its 2''-O-.beta.-D-glucopyranoside (aloenin) and the 2"-O-p-coumaroyl ester of aloenin, (b) the anthracene derivatives 1,2,8-trihydroxy-6-methylanthraquinone (nataloe-emodin), its 2-O-.beta.-D-glucopyranosyl ester and the corresponding 10-C-.beta.-D-glucopyranoside nataloin.