(3β,12β)-3-[β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl]-12-hydroxy-19-oxo-18,19-secours-13(18)-en-28,21-lactone

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3β,12β)-3-[β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl]-12-hydroxy-19-oxo-18,19-secours-13(18)-en-28,21-lactone
• 化学式: C₄₁H₆₄O₁₄
• 分子量: 780.951
• InChiKey: OCQTVONZYFVFLM-PLQXDCEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  55.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  221.9
• 氢给体数：
  7.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  (3β,12β)-3-[β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl]-12-hydroxy-19-oxo-18,19-secours-13(18)-en-28,21-lactone 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 生成 L-阿拉伯糖 、 葡萄糖 、
  参考文献：
  名称：

  Triterpene Saponins from the Aerial Parts of Ilex cornuta and Their Cytotoxic Activity

  摘要：

  Four new triterpene saponins (1-4), together with 13 known triterpenoids (5-17), were isolated from the MeOH extract of flex cornuta Lindley (Aquifoliaceae). Their structures were elucidated on the basis of chemical and spectroscopic methods. The isolated compounds were tested for their cytotoxicities against four human tumor cell lines. (A549, SK-OV-3, SK-MEL-2, and HCT15) in vitro using the sulforhodamine B (SRB) assay.

  DOI：

  10.3987/com-15-13175

文献信息

• Triterpene Saponins from the Aerial Parts of Ilex cornuta and Their Cytotoxic Activity
  作者：Kang Ro Lee、Seung Young Lee、Won Se Suh、Ho Kyung Kim、Il Kyun Lee、Sang Un Choi、Ki Hyun Kim

  DOI：10.3987/com-15-13175

  日期：——

  Four new triterpene saponins (1-4), together with 13 known triterpenoids (5-17), were isolated from the MeOH extract of flex cornuta Lindley (Aquifoliaceae). Their structures were elucidated on the basis of chemical and spectroscopic methods. The isolated compounds were tested for their cytotoxicities against four human tumor cell lines. (A549, SK-OV-3, SK-MEL-2, and HCT15) in vitro using the sulforhodamine B (SRB) assay.