(5R,6R,8S,9S)-5,8-epoxymegastigmane-9-ol-3-one 9-O-β-glucopyranoside | 1253195-02-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5R,6R,8S,9S)-5,8-epoxymegastigmane-9-ol-3-one 9-O-β-glucopyranoside
• 英文别名: breyniaionoside E；(2S,3aR,7aR)-4,4,7a-trimethyl-2-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3a,5,7-tetrahydro-2H-1-benzofuran-6-one
• CAS: 1253195-02-6
• 化学式: C₁₉H₃₂O₈
• 分子量: 388.458
• InChiKey: SJXIMPSMCMVXCP-VCOYWXIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (5R,6R,8S,9S)-5,8-epoxymegastigmane-9-ol-3-one 9-O-β-glucopyranoside 在 水 、 cellulase 作用下， 反应 72.0h， 以3 mg的产率得到
  参考文献：
  名称：

  Two new glycosides fromBreynia vitis-idaea

  摘要：

  A new sulfur-containing spiroketal glycoside, breynin I (1), and a new terpenic glycoside, breyniaionoside E (2), together with 10 known compounds, were isolated from the aerial parts of Breynia vitis-idaea (Euphorbiaceae), a traditional Chinese medicine used for the treatment of chronic bronchitis and wounds. Their structures were elucidated on the basis of spectroscopic analysis and modified Mosher's method.

  DOI：

  10.1080/10286021003745452

文献信息

• Two new glycosides from<i>Breynia vitis-idaea</i>
  作者：Da-Hai Meng、Jian Wu、Luo-Yi Wang、Wei-Min Zhao

  DOI：10.1080/10286021003745452

  日期：2010.6

  A new sulfur-containing spiroketal glycoside, breynin I (1), and a new terpenic glycoside, breyniaionoside E (2), together with 10 known compounds, were isolated from the aerial parts of Breynia vitis-idaea (Euphorbiaceae), a traditional Chinese medicine used for the treatment of chronic bronchitis and wounds. Their structures were elucidated on the basis of spectroscopic analysis and modified Mosher's method.