ISORHOEAGENINE-GLUCOSIDE

Structure

2D structure of ISORHOEAGENINE-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

ISORHOEAGENINE-GLUCOSIDE

IUPAC name

(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(((5bR,13bS,15S)-6-methyl-5b,6,7,8,13b,15-hexahydro-[1,3]dioxolo[4',5':7,8]isochromeno[4,3-b][1,3]dioxolo[5',4':4,5]benzo[1,2-d]azepin-15-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

SMILES

C12=CC3=C(C=C1OCO2)[C@H]5[C@H](N(CC3)C)C4=CC=C7C(=C4[C@@H](O5)O[C@@H]6[C@H]([C@@H]([C@H]([C@H](CO)O6)O)O)O)OCO7

General information

Molecular formula

C26H29NO11

Molecular weight

531.51 g/mol

Monoisotopic mass

531.1741 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Papaver rhoeas L. subsp. rhoeas - -
Preininger, V., Simanek, V., Gasic, O., Santavy, F., Dolejs, L. (1973). Adlumidiceine and adlumiceine: new alkaloids of narceine type. Phytochemistry, 12(10), 2513-2515 doi:10.1016/0031-9422(73)80466-2