KAEMPFEROL-3-O-BETA-[BETA-D-GLUCOPYRANOSYL(1-6)-D-GLUCOPYRANOSIDE]-7-O-ALPHA-L-RHAMNOPYRANOSIDE

Structure

2D structure of KAEMPFEROL-3-O-BETA-[BETA-D-GLUCOPYRANOSYL(1-6)-D-GLUCOPYRANOSIDE]-7-O-ALPHA-L-RHAMNOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

KAEMPFEROL-3-O-BETA-[BETA-D-GLUCOPYRANOSYL(1-6)-D-GLUCOPYRANOSIDE]-7-O-ALPHA-L-RHAMNOPYRANOSIDE

IUPAC name

5-hydroxy-2-(4-hydroxyphenyl)-3-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

SMILES

C1=CC(=CC=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@H](CO[C@@H]5[C@H]([C@@H]([C@H]([C@H](CO)O5)O)O)O)O6)O)O)O)O

General information

Molecular formula

C33H40O20

Molecular weight

756.66 g/mol

Monoisotopic mass

756.2113 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Arabidopsis thaliana (L.) Heynh. - -
Pauli, G.F. (2000). Higher order and and substituents chemical shift effects in the proton nmr of glycosides. J Nat Prod, 63(6), 834-838 doi:10.1021/np990527t