Further NMR investigation and conformational analysis of an acylated flavonol glucorhamnoside
文献类型：期刊论文
| 作者 | Gao, JH; Shi, GB; Song, GQ; Shao, Y; Zhou, BN |
| 刊名 | MAGNETIC RESONANCE IN CHEMISTRY
 |
| 出版日期 | 1996-04 |
| 卷号 | 34期号:4页码:249-254 |
| 关键词 | acylated flavonol glucorhamnoside 2D NMR conformational analysis molecular dynamics hydrogen bond |
| ISSN号 | 0749-1581 |
| DOI | 10.1002/(SICI)1097-458X(199604)34:4<249::AID-OMR877>3.0.CO;2-O |
| 文献子类 | Article |
| 英文摘要 | With the combination of various 2D NMR techniques, the structure of an acylated glycoside (1) was unambiguously determined to be kaempferol 3-O-alpha-(6'''-p-coumaroylglucosyl-beta-1,2-rhamnoside). The complete H-1 and C-13 resonance assignments were obtained, Based on NMR data and molecular dynamics simulations in DMSO solvent using periodic boundary conditions, a folded conformation was elucidated for 1 in solution, implying a hydrophobic interaction between the aromatic nuclei of aglycone and the acyl group, Such hydrophobic stacking is further assisted by a weak intramolecular hydrogen bond between OH3 '' on glucose and O2''' on rhamnose, as indicated directly by the NMR behaviour (temperature coefficients d delta/dT NOEs and coupling constants J(HOCH)) of the hydroxyl protons on the sugar rings. |
| WOS关键词 | DIMETHYL-SULFOXIDE ; MOLECULAR-DYNAMICS ; SPECTROSCOPY ; BONDS |
| WOS研究方向 | Chemistry ; Spectroscopy |
| 语种 | 英语 |
| WOS记录号 | WOS:A1996UD84200002 |
| 出版者 | JOHN WILEY & SONS LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274989]  |
| 专题 | 中国科学院上海药物研究所 |
| 作者单位 | 1.CHINESE ACAD SCI,SHANGHAI INST MAT MED,STATE KEY LAB NEW DRUG RES,SHANGHAI 200031,PEOPLES R CHINA 2.CHINESE ACAD SCI,SHANGHAI INST MAT MED,NMR LAB,SHANGHAI 200031,PEOPLES R CHINA |
| 推荐引用方式 GB/T 7714 | Gao, JH,Shi, GB,Song, GQ,et al. Further NMR investigation and conformational analysis of an acylated flavonol glucorhamnoside[J]. MAGNETIC RESONANCE IN CHEMISTRY,1996,34(4):249-254. |
| APA | Gao, JH,Shi, GB,Song, GQ,Shao, Y,&Zhou, BN.(1996).Further NMR investigation and conformational analysis of an acylated flavonol glucorhamnoside.MAGNETIC RESONANCE IN CHEMISTRY,34(4),249-254. |
| MLA | Gao, JH,et al."Further NMR investigation and conformational analysis of an acylated flavonol glucorhamnoside".MAGNETIC RESONANCE IN CHEMISTRY 34.4(1996):249-254. |
入库方式： OAI收割
来源：上海药物研究所
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