oleanolic acid 3-O-α-L-rhamnopyranosyl-(1→6)-(2-O-isoferuloyl-β-D-glucopyranosyl)-(1→4)-β-D-ribopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-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: oleanolic acid 3-O-α-L-rhamnopyranosyl-(1→6)-(2-O-isoferuloyl-β-D-glucopyranosyl)-(1→4)-β-D-ribopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside
• 英文别名: clematomandshurica saponin K；(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• 化学式: C₆₈H₁₀₂O₂₇
• 分子量: 1351.54
• InChiKey: XKQJWSFVPZOSNW-DYJZJPIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  95
• 可旋转键数：
  17
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  408
• 氢给体数：
  13
• 氢受体数：
  27

反应信息

• 作为反应物：
  描述：

  oleanolic acid 3-O-α-L-rhamnopyranosyl-(1→6)-(2-O-isoferuloyl-β-D-glucopyranosyl)-(1→4)-β-D-ribopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside 在 盐酸 、 水 作用下， 反应 2.0h， 生成 D-核糖 、 L-阿拉伯糖 、 L-鼠李糖 、 葡萄糖
  参考文献：
  名称：

  Triterpene Saponins from Clematis mandshurica and Their Antiproliferative Activity

  摘要：

  Six new triterpene saponins, clematomandshurica saponins F-K (1-6), together with a known compound (7), were isolated from the roots and rhizomes of Clematis mandshurica. Their structures were elucidated on the basis of spectroscopic evidence and hydrolysis. Compounds 5-7 exhibited antiproliferative effects against PC-3 human prostate cancer cells with GI(50) values of 1.29, 1.50, and 0.71 mu M, respectively.

  DOI：

  10.1055/s-0032-1328657