QUERCETIN-3-BETA-APIOSYL-BETA-GLUCOSIDE

Structure

2D structure of QUERCETIN-3-BETA-APIOSYL-BETA-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

QUERCETIN-3-BETA-APIOSYL-BETA-GLUCOSIDE

IUPAC name

3-(((2S,4S,5S)-3-(((2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

SMILES

OC1=C(C=CC(=C1)C3=C(C(=O)C2=C(C=C(C=C2O3)O)O)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O[C@H]5[C@H](C(CO5)(CO)O)O)O

General information

Molecular formula

C26H28O16

Molecular weight

596.49 g/mol

Monoisotopic mass

596.1377 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Solidago gigantea Aiton flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.