PUNICAFOLIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5320800
Name
PUNICAFOLIN
IUPAC name
(52R,53R,54S,55R,56S)-14,15,16,24,25,26-hexahydroxy-3,8-dioxo-53,54,55,56-tetrahydro-52H-4,7-dioxa-5(4,2)-pyrana-1,2(1,2)-dibenzenacyclooctaphane-53,55,56-triyl tris(3,4,5-trihydroxybenzoate)
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Molecular formula
C41H30O26
Molecular weight
938.67 g/mol
Monoisotopic mass
938.1025 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia helioscopia L. subsp. helioscopia | - | - |
Lee, S.H., Tanaka, T., Nonaka, G.I., Nishioka, I. (1990). Tannins and related compounds. xcv. isolation and characterization of helioscopinins and helioscopins, four new hydrolyzable tannnins from Euphorbia helioscopia L. Chem Pharm Bull, 38(6), 1518-1523 doi:10.1248/cpb.38.1518
|