ISOSCUTELLAREIN-7-ALLOYSL-(1-2)-GLUCOSIDE-4’-METHYL ETHER

Structure

2D structure of ISOSCUTELLAREIN-7-ALLOYSL-(1-2)-GLUCOSIDE-4’-METHYL ETHER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

ISOSCUTELLAREIN-7-ALLOYSL-(1-2)-GLUCOSIDE-4’-METHYL ETHER

IUPAC name

7-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](CO)O4)O)O)O[C@H]5[C@H]([C@H]([C@H]([C@H](CO)O5)O)O)O)O)OC

General information

Molecular formula

C28H32O16

Molecular weight

624.55 g/mol

Monoisotopic mass

624.1690 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Veronica persica Poir. aerial parts -
Tomas-barberan, F.A., Gil, M.I., Ferreres, F., Tomas-lorente, F. (1992). Flavonoid p-coumaroylglucosides and 8-hydroxyflavone allosylglucosides in some Labiatae. Phytochemistry, 31(9), 3097-3102 doi:10.1016/0031-9422(92)83452-5