α-L-rhamnopyranosyl-(1→3)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→1)-β-D-glucopyranosyl-[(2→1)-α-L-rhamnopyranosyl]-(3→1)-α-L-rhamnopyranose | 1609643-19-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: α-L-rhamnopyranosyl-(1→3)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→1)-β-D-glucopyranosyl-[(2→1)-α-L-rhamnopyranosyl]-(3→1)-α-L-rhamnopyranose
• CAS: 1609643-19-7
• 化学式: C₃₆H₆₂O₂₇
• 分子量: 926.872
• InChiKey: LLDYLTVIKJMWOS-VJIVELJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.99
• 重原子数：
  63.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  425.21
• 氢给体数：
  16.0
• 氢受体数：
  27.0

反应信息

• 作为反应物：
  描述：

  α-L-rhamnopyranosyl-(1→3)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→1)-β-D-glucopyranosyl-[(2→1)-α-L-rhamnopyranosyl]-(3→1)-α-L-rhamnopyranose 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 L-鼠李糖 、 葡萄糖
  参考文献：
  名称：

  A new triterpenoid saponin and an oligosaccharide isolated from the fruits of Sapindus mukorossi

  摘要：

  A new triterpenoid saponin (1) and a new oligosaccharide (2), together with three known saponins (3-5), have been isolated from n-BuOH extract of the fruits of Sapindus mukorossi Gaertn. The structures were elucidated using detailed analysis of one- and two-dimensional nuclear magnetic resonance spectra along with their mass spectrometric data and the results of acid hydrolysis. Of the isolated compounds 1 and 3-5 displayed cytotoxic effects against human cancer cell lines in A-549 (lung carcinoma), MDA-231 (breast carcinoma) and PC-3 (prostatic carcinoma).

  DOI：

  10.1080/14786419.2014.905559

文献信息

• A new triterpenoid saponin and an oligosaccharide isolated from the fruits of <i>Sapindus mukorossi</i>
  作者：Xuan-Ming Zhang、De-Po Yang、Zhi-Yong Xie、Xue Xue、Long-Ping Zhu、Dong-Mei Wang、Zhi-Min Zhao

  DOI：10.1080/14786419.2014.905559

  日期：2014.7.18

  A new triterpenoid saponin (1) and a new oligosaccharide (2), together with three known saponins (3-5), have been isolated from n-BuOH extract of the fruits of Sapindus mukorossi Gaertn. The structures were elucidated using detailed analysis of one- and two-dimensional nuclear magnetic resonance spectra along with their mass spectrometric data and the results of acid hydrolysis. Of the isolated compounds 1 and 3-5 displayed cytotoxic effects against human cancer cell lines in A-549 (lung carcinoma), MDA-231 (breast carcinoma) and PC-3 (prostatic carcinoma).