GALLO-TANNIN
Drag to rotate, scroll to zoom
Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 16133691
Name
GALLO-TANNIN
IUPAC name
(2R,3R,4R,5S,6S)-2-(((3-((3-((3,4-dioxocyclohexa-1,5-diene-1-carbonyl)oxy)-4-hydroxybenzoyl)oxy)-4-hydroxybenzoyl)oxy)methyl)-6-(3-hydroxy-2-oxobutyl)-4-((4-hydroxy-3-((5-((4-hydroxy-3-((5-hydroxy-3,4-dioxocyclohexa-1,5-diene-1-carbonyl)oxy)benzoyl)oxy)-3,4-dioxocyclohexa-1,5-diene-1-carbonyl)oxy)benzoyl)oxy)tetrahydro-2H-pyran-3,5-diyl bis(4-hydroxy-3-((4-hydroxy-3-((5-hydroxy-3,4-dioxocyclohexa-1,5-diene-1-carbonyl)oxy)benzoyl)oxy)benzoate)
SMILES
CC(C(=O)C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC(=C(C=C2)O)OC(=O)C3=CC(=C(C=C3)O)OC(=O)C4=CC(=O)C(=O)C=C4)OC(=O)C5=CC(=C(C=C5)O)OC(=O)C6=CC(=C(C=C6)O)OC(=O)C7=CC(=O)C(=O)C(=C7)O)OC(=O)C8=CC(=C(C=C8)O)OC(=O)C9=CC(=O)C(=O)C(=C9)OC(=O)C1=CC(=C(C=C1)O)OC(=O)C1=CC(=O)C(=O)C(=C1)O)OC(=O)C1=CC(=C(C=C1)O)OC(=O)C1=CC(=C(C=C1)O)OC(=O)C1=CC(=O)C(=O)C(=C1)O)O
Molecular formula
C101H60O50
Molecular weight
2,073.54 g/mol
Monoisotopic mass
2,072.2152 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Agrimonia eupatoria L. subsp. eupatoria | root | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Juniperus communis L. | fruit | - |
Leung, A.Y., Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics, John Wiley & Sons, New York, 1980.
|
| Lythrum salicaria L. | leaf | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|