platycogenic acid C 2-O-β-D-glucopyranosido-21-O-β-D-glucopyranoside | 1325614-85-4

• 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: platycogenic acid C 2-O-β-D-glucopyranosido-21-O-β-D-glucopyranoside
• 英文别名: platycosaponin A；(3S,4aR,5S,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,11-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 1325614-85-4
• 化学式: C₄₂H₆₈O₁₆
• 分子量: 828.992
• InChiKey: SAFCRFGYZRRGJJ-IETOLXMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  58
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  277
• 氢给体数：
  11
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  platycogenic acid C 2-O-β-D-glucopyranosido-21-O-β-D-glucopyranoside 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以7.5 mg的产率得到2β,3β,16β,21β-tetrahydroxyolean-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.