26-O-β-D-glucopyranosyl-(25R)-5α-furostan-20(22)-en-3β,26-diol-3-O-β-D-xylopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-[α-L-rhamnopyranosyl-(1→2)]-β-D-galactopyranoside | 1253285-17-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 26-O-β-D-glucopyranosyl-(25R)-5α-furostan-20(22)-en-3β,26-diol-3-O-β-D-xylopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-[α-L-rhamnopyranosyl-(1→2)]-β-D-galactopyranoside
• 英文别名: terrestroside B；3-O-{β-D-xylopyranosyl-(1->3)-[β-D-xylopyranosyl(1->2)]-β-D-glucopyranosyl(1->4)-[α-L-rhamnopyranosyl(1->2)]-β-D-galactopyranosyl}-26-O-β-D-glucopyranosyl-L-5a-furost-20(22)-en-(25R)-3β,26-diol；terrestroside A；(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[[(1R,2S,4S,8S,9S,12S,13S,16S,18S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS: 1253285-17-4
• 化学式: C₆₁H₁₀₀O₃₀
• 分子量: 1313.45
• InChiKey: CNGHCVZOTCCMMB-YVRHDIGYSA-N

物化性质

• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  91
• 可旋转键数：
  19
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  464
• 氢给体数：
  17
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  26-O-β-D-glucopyranosyl-(25R)-5α-furostan-20(22)-en-3β,26-diol-3-O-β-D-xylopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-[α-L-rhamnopyranosyl-(1→2)]-β-D-galactopyranoside 在 盐酸 、 水 、 吡啶 、 盐酸羟胺 作用下， 反应 3.0h， 生成 D-glucose oxime 、 galactose oxime 、 、 D-木糖肟
  参考文献：
  名称：

  Five furostanol saponins from fruits of Tribulus terrestris and their cytotoxic activities

  摘要：

  Two new furostanol saponins, terrestroside A, 3-O-{-D-xylopyranosyl-(1 3)-[-D-xylopyranosyl(1 2)]--D-glucopyranosyl(1 4)-[-L-rhamnopyranosyl(1 2)]--D-galactopyranosy}-26-O--D-glucopyranosyl-L-5a-furost-20(22)-en-(25R)-3,26-diol (1) and terrestroside B, 3-O-{-D-xylopyran-osyl(1 3)-[-D-xylopyranosyl(1 2)]--D-glucopyranosyl(1 4)-[-L-rhamnopyranosyl-(1 2)]--D-galactopyranosy}-26-O--D-glucopyranosyl-5a-furostan-12-one-(25R)-22-methoxy-3,26-diol (2), together with three known compounds, chloromaloside E (3), terrestrinin B (4) and terrestroneoside A (5) were isolated from the dry fruits of Tribulus terrestris. Furthermore, the inhibitory effects of the compounds on tumour cells were evaluated, and compounds 1-5 showed potential anti-tumour activity.

  DOI：

  10.1080/14786410902940990

文献信息

• Five furostanol saponins from fruits of <i>Tribulus terrestris</i> and their cytotoxic activities
  作者：Jue Wang、Xuyu Zu、Yuyang Jiang

  DOI：10.1080/14786410902940990

  日期：2009.10.15

  Two new furostanol saponins, terrestroside A, 3-O--D-xylopyranosyl-(1 3)-[-D-xylopyranosyl(1 2)]--D-glucopyranosyl(1 4)-[-L-rhamnopyranosyl(1 2)]--D-galactopyranosy}-26-O--D-glucopyranosyl-L-5a-furost-20(22)-en-(25R)-3,26-diol (1) and terrestroside B, 3-O--D-xylopyran-osyl(1 3)-[-D-xylopyranosyl(1 2)]--D-glucopyranosyl(1 4)-[-L-rhamnopyranosyl-(1 2)]--D-galactopyranosy}-26-O--D-glucopyranosyl-5a-furostan-12-one-(25R)-22-methoxy-3,26-diol (2), together with three known compounds, chloromaloside E (3), terrestrinin B (4) and terrestroneoside A (5) were isolated from the dry fruits of Tribulus terrestris. Furthermore, the inhibitory effects of the compounds on tumour cells were evaluated, and compounds 1-5 showed potential anti-tumour activity.