9,9'-BIACETYL-NEOOLIVIL-GLUCOSIDE

Structure

2D structure of 9,9'-BIACETYL-NEOOLIVIL-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

9,9'-BIACETYL-NEOOLIVIL-GLUCOSIDE

IUPAC name

((2S,3S,4R,5R)-3-(hydroxymethyl)-4-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydrofuran-2,5-diyl)bis(2-methoxy-4,1-phenylene) diacetate

SMILES

[C@@H]1([C@H]([C@H]([C@H](O1)C2=CC(=C(C=C2)OC(C)=O)OC)CO)CO[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C4=CC=C(C(=C4)OC)OC(C)=O

General information

Molecular formula

C30H38O14

Molecular weight

622.62 g/mol

Monoisotopic mass

622.2262 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Urtica dioica L. root 100 ppm
Blaschek, W., Hansel, R., Keller, K., Reichling, J., Rimpler, H., and Schneider, G. eds. 1998. Hager's Handbuch der Pharmazeutischen Praxis, Auflage Band 2 (A-K), 909 pp., (L-Z), 858 pp. Springer-Verlag, Berlin.