3-O-β-D-glucopyranosyl-(1-2)-[β-D-xylopyranosyl-(1-3)]-β-D-glucopyranosyl-(1-4)-galactopyranosyl-25(S)-spirost-5(6),14(15)-dien-3β-ol

• 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: 3-O-β-D-glucopyranosyl-(1-2)-[β-D-xylopyranosyl-(1-3)]-β-D-glucopyranosyl-(1-4)-galactopyranosyl-25(S)-spirost-5(6),14(15)-dien-3β-ol
• 化学式: C₅₀H₇₈O₂₂
• 分子量: 1031.16
• InChiKey: XFCIDVONTUVXAD-YPWBLPGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.43
• 重原子数：
  72.0
• 可旋转键数：
  11.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  335.06
• 氢给体数：
  12.0
• 氢受体数：
  22.0

反应信息

• 作为反应物：
  描述：

  3-O-β-D-glucopyranosyl-(1-2)-[β-D-xylopyranosyl-(1-3)]-β-D-glucopyranosyl-(1-4)-galactopyranosyl-25(S)-spirost-5(6),14(15)-dien-3β-ol 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 6.0h， 以1.8 mg的产率得到
  参考文献：
  名称：

  Steroidal saponins from the rhizomes of Polygonatum odoratum

  摘要：

  Three steroidal saponins were isolated and characterised from the rhizomes of Polygonatum odoratum. The structure of the compounds were determined as 3-O--D-glucopyranosyl-(1 2)-[-D-xylopyranosyl-(1 3)]--D-glucopyranosyl-(1 4)-galactopyranosyl-25(S)-spirost-5(6)-en-3-ol (1), 3-O--D-glucopyranosyl-(1 2)-[-D-xylopyranosyl-(1 3)]--D-glucopyranosyl-(1 4)-galactopyranosyl-25(S)-spirost-5(6),14(15)-dien-3-ol (2) and 3-O--D-glucopyranosyl-(1 2)-[-D-xylopyranosyl-(1 3)]--D-glucopyranosyl-(1 4)-galactopyranosyl-25(S)-spirost-5 (6)-en-3, 14-diol (3). Compound 2 was identified as a new compound. Compounds 1-3 were found to be strong against the growth of bacteria and plant pathogenic fungi.

  DOI：

  10.1080/14786410902750977

文献信息

• Steroidal saponins from the rhizomes of <i>Polygonatum odoratum</i>
  作者：Dongmei Wang、Dengwu Li、Wei Zhu、Jingfang Zhang、Pai Peng

  DOI：10.1080/14786410902750977

  日期：2009.7.10

  Three steroidal saponins were isolated and characterised from the rhizomes of Polygonatum odoratum. The structure of the compounds were determined as 3-O--D-glucopyranosyl-(1 2)-[-D-xylopyranosyl-(1 3)]--D-glucopyranosyl-(1 4)-galactopyranosyl-25(S)-spirost-5(6)-en-3-ol (1), 3-O--D-glucopyranosyl-(1 2)-[-D-xylopyranosyl-(1 3)]--D-glucopyranosyl-(1 4)-galactopyranosyl-25(S)-spirost-5(6),14(15)-dien-3-ol (2) and 3-O--D-glucopyranosyl-(1 2)-[-D-xylopyranosyl-(1 3)]--D-glucopyranosyl-(1 4)-galactopyranosyl-25(S)-spirost-5 (6)-en-3, 14-diol (3). Compound 2 was identified as a new compound. Compounds 1-3 were found to be strong against the growth of bacteria and plant pathogenic fungi.