VANICOSIDE B
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10033855
Name
VANICOSIDE B
IUPAC name
((2S,3S,4R,5R)-4-hydroxy-3-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2,5-diyl)bis(methylene) (2E,2'E)-bis(3-(4-hydroxyphenyl)acrylate)
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O
Molecular formula
C49H48O20
Molecular weight
956.90 g/mol
Monoisotopic mass
956.2739 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Linaria vulgaris Mill. subsp. vulgaris | aerial parts | - |
Laakso, I., Virkajarvi, P., Airaksinen, H., Varis, E. (1990). Determination of vasicine and related alkaloids by gas chromatography-mass spectrometry. J Chromatogr, 505(2), 424-428 doi:10.1016/s0021-9673(01)93059-6
|
| Persicaria lapathifolia (L.) Delarbre subsp. lapathifolia | aerial parts | - |
Takasake, M., Kuroki, S., Kozuka, M., Konoshima, T. (2001). New phenylpropanoid esters of sucrose from Polygonum lapathifolium. J Nat Prod, 64(10), 1305-1308 doi:10.1021/np010222q
|