laevigatin B | 122588-01-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: laevigatin B
• 英文别名: [(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 2-[5-[[(10R,11R,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
• CAS: 122588-01-6
• 化学式: C₆₈H₄₈O₄₄
• 分子量: 1569.1
• InChiKey: YMQLMYQPBBNDGR-CMZHIDETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  112
• 可旋转键数：
  9
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  744
• 氢给体数：
  25
• 氢受体数：
  44

反应信息

• 作为产物：
  描述：

  agrimoniin 生成 laevigatin B
  参考文献：
  名称：

  YOSHIDA, TAKASHI;TANAKA, KATSUMI;CHEN, XIN-MIN;OKUDA, TAKUO, CHEM. AND PHARM. BULL., 37,(1989) N, C. 920-924

  摘要：

  DOI：

文献信息

• Tannis of rosaceous medicinal plants. V. Hydrolyzable tannis with dehydrodigalloyl group from Rosa laevigata MICHX.
  作者：Takashi YOSHIDA、Katsumi TANAKA、Xin-Min CHEN、Takuo OKUDA

  DOI：10.1248/cpb.37.920

  日期：——

  Four new hydrolyzable tannins, laevigatins A-D, were isolated from Rosa laevigata, a Chinese medicinal plant.Among them, laevigatin B, laevigatin C and laevigatin D, were dimeric ellagitannins closely related to agrimoniin, which has a dehydrodigalloyl group in the molecule. Nine known tannins, including agrimoniin and agrimonic acids A and B, were also isolated. Structures of new tannins were assigned on the basis of proton and carbon-13 nuclear magnetic resonance spectral data, and chemical conversion of agrimonic acid A to laevigatin A, and of agrimoniin to laevigatins B and C.

  从中药植物野牡丹中分离出四种新的水解单宁，即野牡丹单宁A-D。其中，野牡丹单宁B、野牡丹单宁C和野牡丹单宁D是二聚鞣花单宁，与豨莶素密切相关，其分子中有一个脱氢二没食子酰基。还分离出九种已知单宁，包括豨莶素和豨莶酸A和B。根据质子和碳-13核磁共振光谱数据，以及豨莶酸A到野牡丹单宁A、豨莶素到野牡丹单宁B和C的化学转化，确定了新单宁的结构。
• Dimeric ellagitannins, laevigatins E, F and G, from Rosa laevigata
  作者：Takashi Yoshida、Katsumi Tanaka、Chen Xin-min、Takuo Okuda

  DOI：10.1016/s0031-9422(00)98003-8

  日期：1989.1

  Abstract Three new dimeric ellagitannins, laevigatins E, F and G, were isolated along with the known tannins, agrimonic acid B, sanguiin H-4, pedunculagin, agrimoniin, laevigatins B and D, from the polar fraction of the pericarp extract of Rosa laevigata. The structures of the new dimers, in which two glucose cores are linked through a dehydrodigalloyl group, were established by spectroscopic methods

  摘要 从 Rosa laevigata 果皮提取物的极性部分中分离出了三种新的二聚鞣花单宁，laevigatins E、F 和 G，以及已知的单宁、龙蒿酸 B、血根素 H-4、花梗素、龙蒿素、龙葵素 B 和 D。 . 新二聚体的结构是通过光谱方法建立的，其中两个葡萄糖核心通过脱氢二没食子酰基连接。
• YOSHIDA, TAKASHI;TANAKA, KATSUMI;CHEN, XIN-MIN;OKUDA, TAKUO, CHEM. AND PHARM. BULL., 37,(1989) N, C. 920-924
  作者：YOSHIDA, TAKASHI、TANAKA, KATSUMI、CHEN, XIN-MIN、OKUDA, TAKUO

  DOI：——

  日期：——