Supplementary Files for "Chemical Characterizations of Isomeric Flavonoid Glycosides and Other Constituents from Ficus deltoidea Jack"

The presented NMR and LC-PDA-MS processed spectra are supplementary files for "Chemical characterizations of isomeric flavonoid glycosides and other constituents from Ficus deltoidea Jack". These datasets were analyzed to elucidate 22 chemical constituents identified as gallocatechin (S1), afzelechin-4-8"-gallocatechin (S2), catechin (S3), afzelechin-4-8"-catechin (S4), afzelechin (S5), epicatechin (S6), hovetrichoside C (S7), 6,8-di-C-D-glucopyranosylapigenin (vicenin-2) (S8), afzelechin-4-8"-epiafzelechin (S9), epiafzelechin (S10), 6-C-β-D-xylopyranosyl-8-C-β-D-glucopyranosylapigenin (vicenin-1) (S11), orientin (S13), schaftoside (S14), 6-C-D-glucopyranosyl-8-C-D-xylopyranosylapigenin (vicenin-3) (S16), vitexin (S17), vitexin 2"-O-rhamnoside (S19), isovitexin 2"-O-rhamnoside (S20), 6,8-di-C-α-L-arabinopyranosylapigenin (S21), 6,8-di-C-D-xylopyranosylapigenin (S22), 6-C-L-arabinopyranosyl-8-C-D-xylopyranosylapigenin (S23), rhoifolin (S24) and cerberic acid A (S26). The LC-PDA-MS files contained the base peak chromatogram, photodiode array chromatogram, MS spectra, calculated molecular formula and UV spectra. The NMR files consisted of the proton, carbon, APT, DEPTQ, HSQC, COSY, HMBC, ROESY and TOCSY NMR spectra.

本次展示的经处理的核磁共振波谱（Nuclear Magnetic Resonance, NMR）与液相色谱-光电二极管阵列-质谱联用技术（Liquid Chromatography-Photodiode Array-Mass Spectrometry, LC-PDA-MS）谱图，为论文《两面刺榕（Ficus deltoidea Jack）中异构体黄酮苷及其他成分的化学表征》的补充数据集文件。本数据集通过分析共阐明22种化学成分，分别为：没食子儿茶素（gallocatechin, S1）、阿福豆素-4-8"-没食子儿茶素（afzelechin-4-8"-gallocatechin, S2）、儿茶素（catechin, S3）、阿福豆素-4-8"-儿茶素（afzelechin-4-8"-catechin, S4）、阿福豆素（afzelechin, S5）、表儿茶素（epicatechin, S6）、胡芦巴皂苷C（hovetrichoside C, S7）、6,8-二-C-β-D-吡喃葡萄糖基芹菜素（6,8-di-C-D-glucopyranosylapigenin, vicenin-2, S8）、阿福豆素-4-8"-表阿福豆素（afzelechin-4-8"-epiafzelechin, S9）、表阿福豆素（epiafzelechin, S10）、6-C-β-D-吡喃木糖基-8-C-β-D-吡喃葡萄糖基芹菜素（6-C-β-D-xylopyranosyl-8-C-β-D-glucopyranosylapigenin, vicenin-1, S11）、荭草素（orientin, S13）、夏佛塔苷（schaftoside, S14）、6-C-β-D-吡喃葡萄糖基-8-C-β-D-吡喃木糖基芹菜素（6-C-D-glucopyranosyl-8-C-D-xylopyranosylapigenin, vicenin-3, S16）、牡荆素（vitexin, S17）、牡荆素-2"-O-鼠李糖苷（vitexin 2"-O-rhamnoside, S19）、异牡荆素-2"-O-鼠李糖苷（isovitexin 2"-O-rhamnoside, S20）、6,8-二-C-α-L-阿拉伯吡喃糖基芹菜素（6,8-di-C-α-L-arabinopyranosylapigenin, S21）、6,8-二-C-β-D-吡喃木糖基芹菜素（6,8-di-C-D-xylopyranosylapigenin, S22）、6-C-α-L-阿拉伯吡喃糖基-8-C-β-D-吡喃木糖基芹菜素（6-C-L-arabinopyranosyl-8-C-D-xylopyranosylapigenin, S23）、瑞福林（rhoifolin，芹菜素-7-O-鼠李糖苷, S24）以及海杧果酸A（cerberic acid A, S26）。LC-PDA-MS数据集包含基峰色谱图、光电二极管阵列色谱图、质谱谱图、计算得到的分子式以及紫外光谱图。NMR数据集则包含氢谱（1H NMR）、碳谱（13C NMR）、无畸变极化转移增强谱（Attached Proton Test, APT）、无畸变极化转移增强四重谱（Distortionless Enhancement by Polarization Transfer Quadruple, DEPTQ）、异核单量子相干谱（Heteronuclear Single Quantum Coherence, HSQC）、同核相关谱（Correlation Spectroscopy, COSY）、异核多键相关谱（Heteronuclear Multiple Bond Correlation, HMBC）、旋转框架核Overhauser效应谱（Rotating Frame Overhauser Effect Spectroscopy, ROESY）以及总相关谱（Total Correlation Spectroscopy, TOCSY）。