(25R)-5α-spirostane-2α,3β,6β-triol 3-O-2)-O-<β-D-xylopyranosyl-(1->3)>-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside> | 61478-50-0

• 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)-5α-spirostane-2α,3β,6β-triol 3-O-2)-O-<β-D-xylopyranosyl-(1->3)>-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside>
• 英文别名: (25R)-5α-Spirostan-2α,3β,6β-triol 3-O-β-D-glucopyranosyl-(1->2)-O-<β-D-xylopyranosyl-(1->3)>-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside；Aginoside；(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-15,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 61478-50-0
• 化学式: C₅₀H₈₂O₂₄
• 分子量: 1067.19
• InChiKey: REIZDYUGEPBIJP-UFFXEOIKSA-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)：
  -2.7
• 重原子数：
  74
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  376
• 氢给体数：
  14
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (25R)-5α-spirostane-2α,3β,6β-triol 3-O-2)-O-<β-D-xylopyranosyl-(1->3)>-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside> 在 吡啶 作用下， 以38.0 mg的产率得到
  参考文献：
  名称：

  Steroidal saponins from Allium giganteum and A. aflatunense

  摘要：

  Chemical examination of the bulbs of Allium giganteum and A. aflatunense has led to the isolation of two new steroidal saponins together with a known saponin. The structure of the new saponin from A. giganteum was characterized as (24S,25R)-5-alpha-spirostan-2-alpha,3-beta,5-alpha,6-beta,24-pentaol 24-O-beta-D-glucopyranoside and that from A. aflatunense as (25R)-5-aplha-spirostan-2-alpha,3-beta,5-alpha,6-alpha-tetraol 2-O-beta-D-glucopyranoside by spectral and chemical means, and by comparing the data with those of a known compound.

  DOI：

  10.1016/s0031-9422(00)98253-0
• 作为产物：
  描述：

  sodium methylate 、 (25R)-2-O-<(S)-3-hydroxy-3-methylglutaroyl>-5α-spirostane-2α,3β,6β-triol 3-O-2)-O-<β-D-xylopyranosyl-(1->3)>-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside> 以 甲醇 为溶剂， 反应 1.5h， 以200 mg的产率得到(25R)-5α-spirostane-2α,3β,6β-triol 3-O-2)-O-<β-D-xylopyranosyl-(1->3)>-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside>
  参考文献：
  名称：

  Steroidal glycosides from Allium albopilosum and A. ostrowskianum

  摘要：

  Chemical studies of the bulbs of Allium albopilosum and A. ostrowskianum have led to the isolation of two new steroidal saponins and four new cholestane glycosides together with several known compounds. The structures of the new compounds were established by the spectroscopic data, hydrolysis and chemical correlations as (25 R and S)-5alpha-spirostane-2alpha,3beta,6beta-triol 3-O-{O-beta-D-glucopyranosyl-(1-->2)-O-[3-O-acetyl-beta-D-xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside}, (25R)-2-O-[(S)-3-hydroxy-3-methylglutaroyl]-5alpha-spirostane-2alpha,3beta,6beta-triol 3-O-{O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-Xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-d-galactopyranoside}, (22S)-cholest-5-ene-1beta,3beta,16beta,22-tetraol 1-O-alpha-L-rhamnopyranoside 16-O-{O-alpha-L-rhamnopyr-anosyl-(1-->3)-beta-D-glucopyranoside), 1beta,3beta,16beta-trihydroxycholest-5-en-22-one 1-O-alpha-L-rhamnopyranoside 16-O-{O-alpha-L-rhamnopyranosyl-(1-->3)-beta-D-glucopyranoside}, 1beta,3beta,16beta-trihydroxy-5alpha-cholestan-22-one 1-O-alpha-L-rhamnopyranoside 16-O-{O-alpha-L-rhamnopyranosYl-(1-->3)-beta-D-glucopyranoside} and (22S)-cholest-5-ene-1beta,3beta,16beta,22-tetraol 16-O-{O-beta-D-glucopyranosyl-(1-->3)-beta-D-glucopyranoside}.

  DOI：

  10.1016/0031-9422(93)85362-u

文献信息

• Steroidal glycosides from Allium albopilosum and A. ostrowskianum
  作者：Yoshihiro Mimaki、Kazuhiro Kawashima、Toshihiro Kanmoto、Yutaka Sashida

  DOI：10.1016/0031-9422(93)85362-u

  日期：1993.10

  Chemical studies of the bulbs of Allium albopilosum and A. ostrowskianum have led to the isolation of two new steroidal saponins and four new cholestane glycosides together with several known compounds. The structures of the new compounds were established by the spectroscopic data, hydrolysis and chemical correlations as (25 R and S)-5alpha-spirostane-2alpha,3beta,6beta-triol 3-O-O-beta-D-glucopyranosyl-(1-->2)-O-[3-O-acetyl-beta-D-xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside}, (25R)-2-O-[(S)-3-hydroxy-3-methylglutaroyl]-5alpha-spirostane-2alpha,3beta,6beta-triol 3-O-O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-Xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-d-galactopyranoside}, (22S)-cholest-5-ene-1beta,3beta,16beta,22-tetraol 1-O-alpha-L-rhamnopyranoside 16-O-O-alpha-L-rhamnopyr-anosyl-(1-->3)-beta-D-glucopyranoside), 1beta,3beta,16beta-trihydroxycholest-5-en-22-one 1-O-alpha-L-rhamnopyranoside 16-O-O-alpha-L-rhamnopyranosyl-(1-->3)-beta-D-glucopyranoside}, 1beta,3beta,16beta-trihydroxy-5alpha-cholestan-22-one 1-O-alpha-L-rhamnopyranoside 16-O-O-alpha-L-rhamnopyranosYl-(1-->3)-beta-D-glucopyranoside} and (22S)-cholest-5-ene-1beta,3beta,16beta,22-tetraol 16-O-O-beta-D-glucopyranosyl-(1-->3)-beta-D-glucopyranoside}.
• Steroidal saponins from Allium giganteum and A. aflatunense
  作者：Kazuhiro Kawashima、Yoshihiro Mimaki、Yutaka Sashida

  DOI：10.1016/s0031-9422(00)98253-0

  日期：1991.1

  Chemical examination of the bulbs of Allium giganteum and A. aflatunense has led to the isolation of two new steroidal saponins together with a known saponin. The structure of the new saponin from A. giganteum was characterized as (24S,25R)-5-alpha-spirostan-2-alpha,3-beta,5-alpha,6-beta,24-pentaol 24-O-beta-D-glucopyranoside and that from A. aflatunense as (25R)-5-aplha-spirostan-2-alpha,3-beta,5-alpha,6-alpha-tetraol 2-O-beta-D-glucopyranoside by spectral and chemical means, and by comparing the data with those of a known compound.