3-O-β-D-glucopyranosyl-(1→4)-α-L-arabinopyranosylhederagenin 28-O-β-D-xylopyranosyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-O-β-D-glucopyranosyl-(1→4)-α-L-arabinopyranosylhederagenin 28-O-β-D-xylopyranosyl ester
• 化学式: C₄₆H₇₄O₁₇
• 分子量: 899.083
• InChiKey: GUTABNKJRNZJFQ-MFUAUHQNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  63.0
• 可旋转键数：
  8.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  274.75
• 氢给体数：
  10.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  3-O-β-D-glucopyranosyl-(1→4)-α-L-arabinopyranosylhederagenin 28-O-β-D-xylopyranosyl ester 在 almond emulsin 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 D-吡喃木糖 、 D-葡萄糖 、 葳岩仙皂苷 A
  参考文献：
  名称：

  Antibacterial activity of a triterpenoid saponin from the stems of Caesalpinia pulcherrima Linn.

  摘要：

  A new compound 1 was isolated from the methanolic extract of the stems of the Caesalpinia pulcherrima Linn. along with a reported compound (2) 3-O-beta-D-glucopyranosyl-(1 -> 4)-beta-D-xylopyranosyl-(1 -> 3)-alpha-L-rhamnopyranosyl-(1 -> 2)-alpha-L-arabinopyranosyl hederagenin 28-O-beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranosyl ester. The new compound 1 has m.p. 272-274 degrees C, m.f. C46H74O17, [M](+) m/z 898. It was characterised as 3-O-beta-D-glucopyranosyl-(1. 4)-alpha-L-arabinopyranosyl hederagenin 28-O-beta-D-xylopyranosyl ester by various colour reactions, chemical degradations and spectral analyses. Antibacterial activity of compound 1 was screened against various Gram-positive and Gram-negative bacteria and showed significant results.

  DOI：

  10.1080/14786419.2017.1317772