(25R)-5α-spirostan-3β,6β-diol 3-O-{O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside} | 145594-56-5

• 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-spirostan-3β,6β-diol 3-O-{O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside}
• 英文别名: (3I(2),5I+/-,6I(2),25R)-6-Hydroxyspirostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-xylopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside；(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-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: 145594-56-5
• 化学式: C₅₀H₈₂O₂₃
• 分子量: 1051.19
• InChiKey: WRRAISMCUAHXHF-YGQKZNAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  73
• 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：
  355
• 氢给体数：
  13
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (25R)-5α-spirostan-3β,6β-diol 3-O-{O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside} 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Spirostanol saponins of Allium porrum L.fn1

  摘要：

  An investigation of the extracts from bulbs of Allium porrum L. has led to the isolation of four spirostanol saponins. Two of them are new compounds and have been identified as: (25R)-5 alpha-spirostan-3 beta,6 beta-diol 3-O-{O-beta-D-glucopyranosyl-(1 --> 2)-O-[beta-D-xylopyranosyl-(1 --> 3)]-O-beta-D-glucopyranosyl-(1 --> 4)-beta-D-galactopyranoside} (3) and (25R)-5 alpha-spirostan-3 beta,6 beta-diol 3-O-{O-beta-D-glucopyranosyl-(1 --> 3)-O-beta-D-glucopyranosyl-(1 --> 2)-O-[beta-D-xylopyranosyl-(1 --> 3)]-O-beta-D-glucopyranosyl-(1 --> 4)-beta-D-galactopyranoside} (4). The isolated compounds were evaluated for their antifungal activity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00712-2

文献信息

• Spirostanol saponins of Allium porrum L.fn1
  作者：A CAROTENUTO、E FATTORUSSO、V LANZOTTI、S MAGNO

  DOI：10.1016/s0031-9422(98)00712-2

  日期：1999.8

  An investigation of the extracts from bulbs of Allium porrum L. has led to the isolation of four spirostanol saponins. Two of them are new compounds and have been identified as: (25R)-5 alpha-spirostan-3 beta,6 beta-diol 3-O-O-beta-D-glucopyranosyl-(1 --> 2)-O-[beta-D-xylopyranosyl-(1 --> 3)]-O-beta-D-glucopyranosyl-(1 --> 4)-beta-D-galactopyranoside} (3) and (25R)-5 alpha-spirostan-3 beta,6 beta-diol 3-O-O-beta-D-glucopyranosyl-(1 --> 3)-O-beta-D-glucopyranosyl-(1 --> 2)-O-[beta-D-xylopyranosyl-(1 --> 3)]-O-beta-D-glucopyranosyl-(1 --> 4)-beta-D-galactopyranoside} (4). The isolated compounds were evaluated for their antifungal activity. (C) 1999 Elsevier Science Ltd. All rights reserved.