ALYSSONOSIDE

Structure

2D structure of ALYSSONOSIDE
2D structure
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3D model

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

Names and identifiers

Name

ALYSSONOSIDE

IUPAC name

(2R,3R,4R,5R,6R)-2-((((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(2-(3,4-dihydroxycyclohexyl)ethoxy)-5-hydroxy-4-(((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxycyclohexyl)acrylate

SMILES

[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1[C@@H]([C@](CO1)(CO)O)O)OCCC1CCC(C(C1)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)OC(=O)/C=C/C1CC(C(CC1)O)OC

General information

Molecular formula

C35H58O19

Molecular weight

782.83 g/mol

Monoisotopic mass

782.3572 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Ballota nigra L. subsp. meridionalis (Bég.) Bég. aerial parts -
Seidel, V., Verholle, M., Malard, Y., Tillequin, F., Fruchart, J-C., Duriez, P., Bailleul, F., Teissier, E. 2000. Phenylpropanoids from Ballota nigra L. Inhibit in vitro LDL Peroxidation. Phytotherapy Research, 14(2): 93-98.