AUCUBIN,10-O-BETA-D-GLUCOSYL
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 163048013
Name
AUCUBIN,10-O-BETA-D-GLUCOSYL
Also reported as
AUCUBIN-10-O-BETA-GLUCOSIDE
IUPAC name
(2R,3R,4S,5S,6R)-2-(((1S,4aR,5S,7aS)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molecular formula
C21H32O14
Molecular weight
508.47 g/mol
Monoisotopic mass
508.1792 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Linaria vulgaris Mill. subsp. vulgaris | - | - |
Esposito, P., Scarpati, M.L. (1970). Iridoids. ix. 10-o-beta-glucosylaucubin from Linaria vulgaris. Gazz Chim Ital, 100(8/9), 836-845
|
| Scrophularia canina L. | - | - |
Berdini, R., Bianco, A., Guiso, M., Marini, E., Nicoletti, M., Passacantilli, P., Right, G. (1991). Isolation and partial synthesis of 7,8-dehydro-6-beta,10-dihydroxy-11-noriridomyrmecin, a methylcyclopentanoid monoterpene from Scrophularia canina. J Nat Prod, 54(5), 1400-1403 doi:10.1021/np50077a027
|