Research Article
Comprehensive In Silico Screening of the Antiviral Potentialities of a New Humulene Glucoside from Asteriscus hierochunticus against SARS-CoV-2
Table 1
13C and 1H NMR data for humulene-glucoside (1) (DMSO-d6, at 125 and 500 MHz, respectively).
| | C | δC | δH |
| | 1 | 87.5 | 4.62 (s) | | 2 | 149.4 | 7.27 (s) | | 3 | 132.6 | — | | 4 | 24.9 | 2.38, dd (J = 5.7, 10.4 Hz) | | 5 | 22.8 | 2.05, br. d (J = 12.8 Hz) 2.66, tdd (12.8, 10.8, 7.1 Hz) | | 6 | 126.0 | 5.07 (br. s) | | 7 | 140.9 | — | | 8 | 83.9 | 4.79, d (J = 8.1 Hz) | | 9 | 131.6 | 5.58, dd (J = 16.1, 8.1 Hz) | | 10 | 134.9 | 5.22, d (J = 16.1 Hz) | | 11 | 40.3 | — | | 12 | 172.6 | — | | 13 | 11.4 | 1.48 (s) | | 14 | 25.6 | 1.17 (s) | | 15 | 21.4 | 1.06 (s) | | 1′ | 99.9 | 3.86, d (J = 7.8 Hz) | | 2′ | 73.4 | 2.96, overlapped | | 3′ | 76.9 | 3.09, t (J = 8.9 Hz) | | 4′ | 70.2 | 3.02, td (J = 8.9, 3.0 Hz)a | | 5′ | 77.1 | 2.95 (m) | | 6′ | 61.2 | 3.40, dt (J = 11.8, 5.7 Hz)a 3.63, ddd (J = 11.8, 6.1, 2.1 Hz)a |
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aCoupling with a hydroxyl proton too.
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