PUSILAGIN

Structure

2D structure of PUSILAGIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5089683

Names and identifiers

Name

PUSILAGIN

IUPAC name

14,15,16,24,25,26,53,55-octahydroxy-3,8-dioxo-53,54,55,56-tetrahydro-52H-4,7-dioxa-5(4,2)-pyrana-1,2(1,2)-dibenzenacyclooctaphane-56-yl 3,4,5-trihydroxybenzoate

SMILES

C1(=C(C(=C4C(=C1)C(=O)OCC2C(C(C(C(O2)OC(C3=CC(=C(C(=C3)O)O)O)=O)O)OC(C5=CC(=C(C(=C45)O)O)O)=O)O)O)O)O

General information

Molecular formula

C27H22O18

Molecular weight

634.46 g/mol

Monoisotopic mass

634.0806 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Geranium pusillum L. aerial parts -
Kobakhidze, K.B., Alaniya, M.D. (2003). Hydrolyzed tannins from Geranium pusillum. Chem Nat Comp, 39(3), 262-264 doi:10.1023/a:1025418401804