SPECIOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11948661
Name
SPECIOSIDE
IUPAC name
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(4-hydroxyphenyl)acrylate
SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Molecular formula
C24H28O12
Molecular weight
508.48 g/mol
Monoisotopic mass
508.1581 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Verbascum phlomoides L. | flower | - |
Klimek, B. (1996). Hydroxycinnamoyl ester glycosides and saponins from flowers of Verbascum phlomoides. Phytochemistry, 43(6), 1281-1284 doi:10.1016/s0031-9422(96)00446-3
|