Secondary Metabolites Search

ANGOROSIDE A

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Structure

2D structure of ANGOROSIDE A
2D structure
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3D model

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

Names and identifiers

Name

ANGOROSIDE A

IUPAC name

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

SMILES

[C@@H]1([C@@H]([C@@H](OC[C@H]1O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)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)O)O)O

General information

Molecular formula

C34H56O19

Molecular weight

768.80 g/mol

Monoisotopic mass

768.3416 Da

Classification

Pathway:
-
Superclass:
-
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Scrophularia nodosa L. aerial parts -
Miyase, T., Mimatsu, A. (1999). Acylated iridoid and phenylethanoid glyucosides from the aerial parts of Scrophularia nodosa. J Nat Prod, 62(8), 1079-10184 doi:10.1021/np9805746