26-O-β-D-glucopyranosyl-(25S)-5α-furost-20(22)-ene-2α,3β,26-triol 3-O-α-L-rhamnopyranosyl-(1->2)-O-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: 26-O-β-D-glucopyranosyl-(25S)-5α-furost-20(22)-ene-2α,3β,26-triol 3-O-α-L-rhamnopyranosyl-(1->2)-O-β-D-glucopyranoside
• 英文别名: tuberoside A；(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1R,2S,4S,8S,9S,12S,13S,15R,16R,18S)-15-hydroxy-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
• 化学式: C₄₅H₇₄O₁₈
• 分子量: 903.072
• InChiKey: TUOFCGLGPSOPQN-YNFWBICFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  63
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  287
• 氢给体数：
  11
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  26-O-β-D-glucopyranosyl-(25S)-5α-furost-20(22)-ene-2α,3β,26-triol 3-O-α-L-rhamnopyranosyl-(1->2)-O-β-D-glucopyranoside 在 三氟乙酸 作用下， 反应 3.0h， 以7 mg的产率得到(25S)-5α-spirostane-2α,3β-diol
  参考文献：
  名称：

  Furostanol saponins from Allium tuberosum

  摘要：

  Three new furostanol saponins, tuberoside A, B and C, have been isolated from the seeds of Allium tuberosum. On the basis of chemical reactions and spectral data, their structures were established as 26-O-beta-D-glucopyranosyl-(25 S)-5 alpha-furost-20(22)-ene-2 alpha,3 beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1 --> 2)-O-beta-D-glucopyranoside; 26-O-beta-D-glucopyranosyl-(25 S)-5 alpha-furost-20(22)-ene-2 alpha,3 beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1 --> 2)-[alpha-L-rhamnopyranosyl-(1 --> 4)]-beta-D-glucopyranoside and 26-O-beta-D-glucopyranosyl-(25 S)-5 alpha-furost-20(22)-ene-2 alpha,3 beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1 --> 2)-[beta-D-glucopyranosyl-(1 -->3)]-beta-D-glucopyranoside, respectively. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00312-x

文献信息

• Furostanol saponins from Allium tuberosum
  作者：Shengmin Sang、Aina Lao、Hongcheng Wang、Zhongliang Chen

  DOI：10.1016/s0031-9422(99)00312-x

  日期：1999.12

  Three new furostanol saponins, tuberoside A, B and C, have been isolated from the seeds of Allium tuberosum. On the basis of chemical reactions and spectral data, their structures were established as 26-O-beta-D-glucopyranosyl-(25 S)-5 alpha-furost-20(22)-ene-2 alpha,3 beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1 --> 2)-O-beta-D-glucopyranoside; 26-O-beta-D-glucopyranosyl-(25 S)-5 alpha-furost-20(22)-ene-2 alpha,3 beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1 --> 2)-[alpha-L-rhamnopyranosyl-(1 --> 4)]-beta-D-glucopyranoside and 26-O-beta-D-glucopyranosyl-(25 S)-5 alpha-furost-20(22)-ene-2 alpha,3 beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1 --> 2)-[beta-D-glucopyranosyl-(1 -->3)]-beta-D-glucopyranoside, respectively. (C) 1999 Elsevier Science Ltd. All rights reserved.