3β,17α-Dihydroxy-16β-[(O-β-D-glucopyranosyl-(1->4)-O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1->3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one

• 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: 3β,17α-Dihydroxy-16β-[(O-β-D-glucopyranosyl-(1->4)-O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1->3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one
• 英文别名: [(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] 3,4-dimethoxybenzoate
• 化学式: C₅₄H₈₀O₂₁
• 分子量: 1065.22
• InChiKey: HNJIRKJOLJDINX-HHBUYJSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  75
• 可旋转键数：
  19
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  305
• 氢给体数：
  8
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  3β,17α-Dihydroxy-16β-[(O-β-D-glucopyranosyl-(1->4)-O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1->3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以4.7 mg的产率得到
  参考文献：
  名称：

  Cytotoxic Cholestane Glycosides from the Bulbs of Ornithogalum saundersiae

  摘要：

  Further phytochemical analysis of the bulbs of Ornithogalum saundersiae has yielded two new cytotoxic cholestane triglycosides (1 and 2). The structures of these compounds were determined by spectroscopic analysis, including 2D NMR spectroscopic data, and the results of hydrolytic cleavage. Compounds 1 and 2 and several analogues were evaluated for their cytotoxicity against HL-60 cells.

  DOI：

  10.1021/np0003084

文献信息

• Cytotoxic Cholestane Glycosides from the Bulbs of <i>Ornithogalum </i><i>s</i><i>aundersiae</i>
  作者：Minpei Kuroda、Yoshihiro Mimaki、Akihito Yokosuka、Yutaka Sashida、John A. Beutler

  DOI：10.1021/np0003084

  日期：2001.1.1

  Further phytochemical analysis of the bulbs of Ornithogalum saundersiae has yielded two new cytotoxic cholestane triglycosides (1 and 2). The structures of these compounds were determined by spectroscopic analysis, including 2D NMR spectroscopic data, and the results of hydrolytic cleavage. Compounds 1 and 2 and several analogues were evaluated for their cytotoxicity against HL-60 cells.