nilotinin D1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: nilotinin D1
• 英文别名: [(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[5-[[(10R,11R,12R,13S,15R)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
• 化学式: C₇₅H₅₄O₄₈
• 分子量: 1723.22
• InChiKey: MUVWEAQKLNIORL-QLLAGXFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  123
• 可旋转键数：
  17
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  811
• 氢给体数：
  27
• 氢受体数：
  48

反应信息

• 作为反应物：
  描述：

  nilotinin D1 在 Aspergillus oryzae tannase 、 水 作用下， 反应 6.0h， 以0.3 mg的产率得到nilotinin D2
  参考文献：
  名称：

  柽柳的单体和二聚可水解单宁

  摘要：

  从 Tamarix nilotica (Ehrenb.) Bunge 的叶子中分离出鞣花单宁单体尼罗替宁 M1 (1) 和三个二聚体尼罗替宁 D1 (2)、D2 (3) 和 D3 (4)。基于光谱数据的分析和与已知化合物的化学相关性阐明了结构。此外，六种已知的单宁，hirtellin A (5) (dimer), remurin A (6), remurin B (7), 1,3-di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl- β-D-葡萄糖 (8)、gemin D (9) 和 hippomanin A (10)（单体）首次从该植物物种中分离出来。已报告的脱氢二没食子酰基部分和 5 的葡萄糖核心的 (13)C NMR 归属被修订，并且还首次报告了 6 和 7 的 (13)C NMR 光谱数据。

  DOI：

  10.1016/j.phytochem.2009.07.019
• 作为产物：
  描述：

  nilotinin D4 反应 1.0h， 生成 nilotinin D1
  参考文献：
  名称：

  New Monomeric and Dimeric Hydrolyzable Tannins from Tamarix nilotica

  摘要：

  Two new ellagitannin monomers, nilotinins M2 (4) and M3 (5), two new dimers, nilotinins D4 (6), D5 (7), and a known dimer (8), were isolated from an aqueous acetone extract of dried leaves of Tamarix nilotica (Ehrenb.) Bunge. Structures of 4-7 were determined based on spectral data and chemical correlations with known tannins. The known dimer 8 was isolated from a plant extract for the first time; its (1)H and (13)C assignments are also reported here.

  DOI：

  10.3987/com-09-s(s)46

文献信息

• Monomeric and dimeric hydrolysable tannins of Tamarix nilotica
  作者：Mohamed A.A. Orabi、Shoko Taniguchi、Tsutomu Hatano

  DOI：10.1016/j.phytochem.2009.07.019

  日期：2009.7

  (2), D2 (3), and D3 (4), were isolated from leaves of Tamarix nilotica (Ehrenb.) Bunge. Structures were elucidated based on analysis of spectroscopic data and chemical correlations with known compounds. In addition, six known tannins, hirtellin A (5) (dimer), remurin A (6), remurin B (7), 1,3-di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl-beta-D-glucose (8), gemin D (9), and hippomanin A (10) (monomers)

  从 Tamarix nilotica (Ehrenb.) Bunge 的叶子中分离出鞣花单宁单体尼罗替宁 M1 (1) 和三个二聚体尼罗替宁 D1 (2)、D2 (3) 和 D3 (4)。基于光谱数据的分析和与已知化合物的化学相关性阐明了结构。此外，六种已知的单宁，hirtellin A (5) (dimer), remurin A (6), remurin B (7), 1,3-di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl- β-D-葡萄糖 (8)、gemin D (9) 和 hippomanin A (10)（单体）首次从该植物物种中分离出来。已报告的脱氢二没食子酰基部分和 5 的葡萄糖核心的 (13)C NMR 归属被修订，并且还首次报告了 6 和 7 的 (13)C NMR 光谱数据。
• New Monomeric and Dimeric Hydrolyzable Tannins from Tamarix nilotica
  作者：Tsutomu Hatano、Mohamed A. A. Orabi、Shoko Taniguchi、Takashi Yoshida、Morio Yoshimura

  DOI：10.3987/com-09-s(s)46

  日期：——

  Two new ellagitannin monomers, nilotinins M2 (4) and M3 (5), two new dimers, nilotinins D4 (6), D5 (7), and a known dimer (8), were isolated from an aqueous acetone extract of dried leaves of Tamarix nilotica (Ehrenb.) Bunge. Structures of 4-7 were determined based on spectral data and chemical correlations with known tannins. The known dimer 8 was isolated from a plant extract for the first time; its (1)H and (13)C assignments are also reported here.