celosin I

• 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: celosin I
• 英文别名: Celosin I；(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₅₃H₈₂O₂₄
• 分子量: 1103.22
• InChiKey: ZGJXPMROEKLPPN-ZZGAWGKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  77
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  388
• 氢给体数：
  13
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  celosin I 在 三氟乙酸 作用下， 以 水 为溶剂， 反应 5.0h， 生成 D-木糖 、 6-脱氧-D-葡萄糖 、 D-岩藻糖 、 D-葡萄糖醛酸
  参考文献：
  名称：

  New oleanane-type triterpenoid saponins isolated from the seeds ofCelosia argentea

  摘要：

  Three new oleanane-type triterpenoid saponins named celosins H (1), I (2), and J (3) were isolated from the seeds of Celosia argentea L. Their structures were characterized as 3-O--d-xylopyranosyl-(13)--d-glucuronopyranosyl-polygalagenin 28-O--d-glucopyranosyl ester, 3-O--d-glucuronopyranosyl-medicagenic acid 28-O--d-xylcopyranosyl-(14)--l-rhamnopyranosyl-(12)--d-fucopyranosyl ester, and 3-O--d-glucuronopyranosyl-medicagenic acid 28-O--l-arabinopyranosyl-(13)-[-d-xylcopyranosyl-(14)]--l-rhamnopyranosyl-(12)--d-fucopyranosyl ester by NMR, MS, and chemical evidences, respectively. In our opinion, celosins H-J could be used as chemical markers for the quality control of C. argentea seeds.

  DOI：

  10.1080/10286020.2013.879120

文献信息

• New oleanane-type triterpenoid saponins isolated from the seeds of<i>Celosia argentea</i>
  作者：Xu Pang、Hai-Xia Yan、Zhen-Fang Wang、Miao-Xuan Fan、Yang Zhao、Xin-Tong Fu、Cheng-Qi Xiong、Jie Zhang、Bai-Ping Ma、Hong-Zhu Guo

  DOI：10.1080/10286020.2013.879120

  日期：2014.3.4

  Three new oleanane-type triterpenoid saponins named celosins H (1), I (2), and J (3) were isolated from the seeds of Celosia argentea L. Their structures were characterized as 3-O--d-xylopyranosyl-(13)--d-glucuronopyranosyl-polygalagenin 28-O--d-glucopyranosyl ester, 3-O--d-glucuronopyranosyl-medicagenic acid 28-O--d-xylcopyranosyl-(14)--l-rhamnopyranosyl-(12)--d-fucopyranosyl ester, and 3-O--d-glucuronopyranosyl-medicagenic acid 28-O--l-arabinopyranosyl-(13)-[-d-xylcopyranosyl-(14)]--l-rhamnopyranosyl-(12)--d-fucopyranosyl ester by NMR, MS, and chemical evidences, respectively. In our opinion, celosins H-J could be used as chemical markers for the quality control of C. argentea seeds.