3β,19α,23-trihydroxy-20(S)-urs-12-en-28-oic acid 3β-O-α-L-arabinopyranoside

• 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,19α,23-trihydroxy-20(S)-urs-12-en-28-oic acid 3β-O-α-L-arabinopyranoside
• 英文别名: (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• 化学式: C₃₅H₅₆O₉
• 分子量: 620.824
• InChiKey: BHSUFIXFUOVBAB-WINOKSKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3β,19α,23-trihydroxy-20(S)-urs-12-en-28-oic acid 3β-O-α-L-arabinopyranoside 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 生成 L-阿拉伯糖 、 (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  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