(2S)-2-[2-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one | 917563-42-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: (2S)-2-[2-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
• CAS: 917563-42-9
• 化学式: C₂₇H₃₂O₁₅
• 分子量: 596.542
• InChiKey: JTQOVBLCPLYXBN-VDBSBOKISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  245
• 氢给体数：
  9
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  (2S)-5,7,5'-trihydroxyflavanone 2'-O-β-D-6-O-acetylglucopyranosyl-(1->3)-α-L-2-O-acetylrhamnopyranoside 在 氢氧化钾 作用下， 反应 1.0h， 以7 mg的产率得到(2S)-2-[2-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
  参考文献：
  名称：

  Acetylated Flavanone Glycosides from the Rhizomes of Cyclosorus acuminatus

  摘要：

  Six new flavanone glycosides (1-6) were isolated from the methanol extract of the rhizomes of Cyclosorus acuminatus, together with the parent flavanone glycoside 2a. Their structures were established on the basis of spectroscopic and chemical methods. All compounds showed moderate activity against Streptococcus pneumoniae and Haemophilus influenzae.

  DOI：

  10.1021/np060334n