HIRSUTIDIN-3,5-DIGLUCOSIDE

Structure

2D structure of HIRSUTIDIN-3,5-DIGLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

HIRSUTIDIN-3,5-DIGLUCOSIDE

IUPAC name

2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3,5-bis(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium

SMILES

COC2=CC1=[O+]C(=C(C=C1C(=C2)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](CO)O3)O)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](CO)O4)O)O)O)C5=CC(=C(C(=C5)OC)O)OC

General information

Molecular formula

C30H37O17+

Molecular weight

669.61 g/mol

Monoisotopic mass

669.2025 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Prunella grandiflora (L.) Scholler flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Prunella vulgaris L. subsp. vulgaris flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.