(25R)-2α-Hydroxyspirost-5-en-3β-yl O-α-L-rhamnopyranosyl-(1->2)-O-[O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside

• 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: (25R)-2α-Hydroxyspirost-5-en-3β-yl O-α-L-rhamnopyranosyl-(1->2)-O-[O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside
• 英文别名: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₅₁H₈₂O₂₁
• 分子量: 1031.2
• InChiKey: AVLMFKYDXZNPDW-RZOVAQDRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  72
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  315
• 氢给体数：
  11
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  (25R)-2α-Hydroxyspirost-5-en-3β-yl O-α-L-rhamnopyranosyl-(1->2)-O-[O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以1.1 mg的产率得到(25R)-螺甾-5-烯-2alpha,3beta-二醇
  参考文献：
  名称：

  Flavonol Glycosides and Steroidal Saponins from the Leaves of Cestrum nocturnum and Their Cytotoxicity

  摘要：

  Phytochemical analysis of the leaves of Cestrum nocturnum (Solanaceae) resulted in the isolation of two new flavonol glycosides (1, 2) and seven steroidal saponins (3-9), including four new ones (4, 6, 7, and 9). The structures of the new compounds were determined by spectroscopic analysis, including 2D NMR data, and the results of hydrolytic cleavage. Cytotoxic activities of the isolated compounds against human oral squamous cell carcinoma-(HSC-2) cells and normal human gingival fibroblasts are reported.

  DOI：

  10.1021/np0003701

文献信息

• Flavonol Glycosides and Steroidal Saponins from the Leaves of <i>Cestrum </i><i>n</i><i>octurnum</i> and Their Cytotoxicity
  作者：Yoshihiro Mimaki、Kazuki Watanabe、Yuka Ando、Chiseko Sakuma、Yutaka Sashida、Shigenori Furuya、Hiroshi Sakagami

  DOI：10.1021/np0003701

  日期：2001.1.1

  Phytochemical analysis of the leaves of Cestrum nocturnum (Solanaceae) resulted in the isolation of two new flavonol glycosides (1, 2) and seven steroidal saponins (3-9), including four new ones (4, 6, 7, and 9). The structures of the new compounds were determined by spectroscopic analysis, including 2D NMR data, and the results of hydrolytic cleavage. Cytotoxic activities of the isolated compounds against human oral squamous cell carcinoma-(HSC-2) cells and normal human gingival fibroblasts are reported.