3β-hydroxyoleane-11,13(18)-dien-28-oic acid 3-O-β-D-glucopyranosyl-(1→2)-β-D-xylopyranoside | 1428063-00-6

• 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: 3β-hydroxyoleane-11,13(18)-dien-28-oic acid 3-O-β-D-glucopyranosyl-(1→2)-β-D-xylopyranoside
• 英文别名: paritriside D；(4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
• CAS: 1428063-00-6
• 化学式: C₄₁H₆₄O₁₂
• 分子量: 748.952
• InChiKey: QMYWPOINIAPWPV-UYKNDLISSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  53
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  196
• 氢给体数：
  7
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  3β-hydroxyoleane-11,13(18)-dien-28-oic acid 3-O-β-D-glucopyranosyl-(1→2)-β-D-xylopyranoside 在 盐酸 作用下， 反应 4.0h， 生成 D-木糖 、 葡萄糖
  参考文献：
  名称：

  Triterpenoid saponins from rhizomes of Paris polyphylla var. yunnanensis

  摘要：

  Phytochemical investigation of the rhizomes of Paris polyphylla var. yunnanensis resulted in the isolation of six new oleanane-type triterpenoid saponins, paritrisides A-F (1-6), along with nine known triterpenoid saponins (7-15). The structures of the new compounds were elucidated on the basis of spectroscopic analysis and acid hydrolysis. All the triterpenoid saponins are obtained for the first time from the genus Paris. The isolated compounds were assayed for their cytotoxic activities against human nasopharyngeal carcinoma epithelial (CNE) cells, and compounds 7, 8, and 10 exhibited inhibitory effects on CNE cell growth with IC50 values of 16.53, 16.77, and 12.69 mu m, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2012.11.027

文献信息

• Triterpenoid saponins from rhizomes of Paris polyphylla var. yunnanensis
  作者：Xia Wu、Lei Wang、Guo-Cai Wang、Hui Wang、Yi Dai、Xin-Xin Yang、Wen-Cai Ye、Yao-Lan Li

  DOI：10.1016/j.carres.2012.11.027

  日期：2013.3

  Phytochemical investigation of the rhizomes of Paris polyphylla var. yunnanensis resulted in the isolation of six new oleanane-type triterpenoid saponins, paritrisides A-F (1-6), along with nine known triterpenoid saponins (7-15). The structures of the new compounds were elucidated on the basis of spectroscopic analysis and acid hydrolysis. All the triterpenoid saponins are obtained for the first time from the genus Paris. The isolated compounds were assayed for their cytotoxic activities against human nasopharyngeal carcinoma epithelial (CNE) cells, and compounds 7, 8, and 10 exhibited inhibitory effects on CNE cell growth with IC50 values of 16.53, 16.77, and 12.69 mu m, respectively. (C) 2012 Elsevier Ltd. All rights reserved.