KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-6-ACETYL-GLUCOPYRANOSIDE

Structure

2D structure of KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-6-ACETYL-GLUCOPYRANOSIDE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5282155

Names and identifiers

Name

KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-6-ACETYL-GLUCOPYRANOSIDE

Also reported as

KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-GLUCOPYRANOSIDE; KAEMPFEROL-3-O-BETA-D-SOPHOROSIDE

IUPAC name

((2R,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl acetate

SMILES

OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)OC3=C(C4=CC=C(C=C4)O)OC5=C(C3=O)C(O)=CC(O)=C5

General information

Molecular formula

C27H30O16

Molecular weight

610.52 g/mol

Monoisotopic mass

610.1534 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Crocus vernus (L.) Hill flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Crocus vernus (L.) Hill leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Equisetum arvense L. - -
Jim Duke's personal files.
Equisetum arvense L. stem -
Jim Duke's personal files.
Equisetum ramosissimum Desf. - -
Saleh, N.A.M., Abdalla, M.F. (1980). The flavonoids of Equisetum ramosissimum. Phytochemistry, 19, 987 doi:10.1016/0031-9422(80)85161-2
Lepidium draba L. subsp. draba - -
Kurkin, V.A., Zapesochnaya, G.G., Krivenchuk, P.E. (1981). Flavonoids of orobus vernus, Lepidium draba and Lepidium ruderale. Khim Prir Soedin, 17(5), 661-662
Lepidium draba L. subsp. draba flower -
Kurkin, V.A., Zapesochnaya, G.G., Krivenchuk, P.E. (1981). Flavonoids of orobus vernus,Lepidium draba and Lepidium ruderale. Khim Prir Soedin, 17(5), 661-662
Parietaria officinalis L. - -
Circosta, C., Limardi, F., Occhiuto, F. (1992). Antibronchospastic activity of flavonol glycosides of different extracts from Parietaria officinalis L. Riv Ital Eppos, 3(7), 42-48
Parietaria officinalis L. flower -
Budzianowski, J., Skrzypczak, L., Walkowiak, D. (1985). Flavonoids of Parietaria officinalis. J Nat Prod, 48(2), 336-337 doi:10.1021/np50038a033