PYRAN-4-ONE,4(H): 3-METHYL-2-(6'-(O-TRANS-CINNAMOYL)-BETA-D-GLUCOPYRANOSYL-OXY))

Structure

2D structure of PYRAN-4-ONE,4(H): 3-METHYL-2-(6'-(O-TRANS-CINNAMOYL)-BETA-D-GLUCOPYRANOSYL-OXY))
2D structure
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3D model

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

Names and identifiers

Name

PYRAN-4-ONE,4(H): 3-METHYL-2-(6'-(O-TRANS-CINNAMOYL)-BETA-D-GLUCOPYRANOSYL-OXY))

IUPAC name

((2S,3R,4R,5S,6S)-4,5,6-trihydroxy-2-((3-methyl-4-oxo-4H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)methyl cinnamate

SMILES

C1=COC(=C(C1=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)O)O)O)COC(\C(=C(\C3=CC=CC=C3)[H])[H])=O

General information

Molecular formula

C21H22O9

Molecular weight

418.40 g/mol

Monoisotopic mass

418.1264 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Silene vulgaris (Moench) Garcke subsp. vulgaris aerial parts -
No reference