((4-(5,6-dihydroxy-4-oxo-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)phenoxy)carbonyl)-L-aspartic acid | 1432474-30-0

• 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: ((4-(5,6-dihydroxy-4-oxo-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)phenoxy)carbonyl)-L-aspartic acid
• CAS: 1432474-30-0
• 化学式: C₂₇H₂₅NO₁₇
• 分子量: 635.492
• InChiKey: MIWXBGIDBCQIRT-GQONRYHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.75
• 重原子数：
  45.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  289.05
• 氢给体数：
  8.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  ((4-(5,6-dihydroxy-4-oxo-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)phenoxy)carbonyl)-L-aspartic acid 在 水 作用下， 生成 、 红盏花素
  参考文献：
  名称：

  Synthesis and physiochemical property evaluation of carbamate derivatives of scutellarin methyl ester

  摘要：

  A series of carbamate prodrugs of scutellarin methyl ester (4a-4e) were prepared in the presence of bis(trichloromethyl) carbonate (BTC) with scutellarin methyl esters and c-amino acid tert-butyl ester hydrochloride as starting materials. In vitro stability and aqueous solubility of target compounds were evaluated. The results indicated that compounds 4d and 4e have higher solubility and in vitro stability than scutellarin respectively. (C) 2013 Xiao-Zhong Fu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.02.003
• 作为产物：
  描述：

  di-tert-butyl ((4-(5,6-dihydroxy-4-oxo-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)phenoxy)carbonyl)-L-aspartate 在 三氟乙酸 作用下， 生成 ((4-(5,6-dihydroxy-4-oxo-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)phenoxy)carbonyl)-L-aspartic acid
  参考文献：
  名称：

  Synthesis and physiochemical property evaluation of carbamate derivatives of scutellarin methyl ester

  摘要：

  A series of carbamate prodrugs of scutellarin methyl ester (4a-4e) were prepared in the presence of bis(trichloromethyl) carbonate (BTC) with scutellarin methyl esters and c-amino acid tert-butyl ester hydrochloride as starting materials. In vitro stability and aqueous solubility of target compounds were evaluated. The results indicated that compounds 4d and 4e have higher solubility and in vitro stability than scutellarin respectively. (C) 2013 Xiao-Zhong Fu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.02.003