platycodin J

• 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: platycodin J
• 英文别名: platycodigenin 3-O-β-D-glucuronopyranosido-28-O-β-D-apiofuranosyl(1->3)-β-D-xylopyranosyl(1->4)-α-L-rhamnopyranosyl(1->2)-α-L-arabinopyranoside；Platycodin J；(2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,8-dihydroxy-4,4-bis(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-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: C₅₇H₉₀O₂₉
• 分子量: 1239.32
• InChiKey: ZTXJHTTXLMNIRP-VQTRYSKISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  86
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  470
• 氢给体数：
  17
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  platycodin J 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以4.9 mg的产率得到2β,3β,16α,23,24-pentahydroxyolean-12-en-28-oic acid
  参考文献：
  名称：

  Eight New Oleanane-Type Triterpenoid Saponins from Platycodon Root

  摘要：

  Eight new triterpenoid saponins, platyconic acids B (1), C (2), D (3), E (4), platycodins J (5), K (6), L (7) and platycosaponin A (8), were isolated from Platycodon Root, together with twelve known compounds, and they were characterized on the basis of their spectroscopic and chemical data.

  DOI：

  10.3987/com-10-12058

文献信息

• Eight New Oleanane-Type Triterpenoid Saponins from Platycodon Root
  作者：Yoshiteru Ida、Motonori Fukumura、Daigo Iwasaki、Yasuaki Hirai、Yumiko Hori、Kazuo Toriizuka、Peter T. M. Kenny、Yoshiyuki Kuchino

  DOI：10.3987/com-10-12058

  日期：——

  Eight new triterpenoid saponins, platyconic acids B (1), C (2), D (3), E (4), platycodins J (5), K (6), L (7) and platycosaponin A (8), were isolated from Platycodon Root, together with twelve known compounds, and they were characterized on the basis of their spectroscopic and chemical data.