OKANIN,4-O-METHYL: 4'-O-(6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE)

Structure

2D structure of OKANIN,4-O-METHYL: 4'-O-(6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE)
2D structure
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3D model

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

Names and identifiers

Name

OKANIN,4-O-METHYL: 4'-O-(6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE)

IUPAC name

((2S,3R,4R,5S,6R)-6-(2,3-dihydroxy-4-((E)-3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate

SMILES

C1=CC(=C(C=C1\C(=C(\C(=O)C2=C(C(=C(C=C2)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](COC(C)=O)O3)O)O)O)O)O)[H])[H])O)OC

General information

Molecular formula

C24H26O12

Molecular weight

506.46 g/mol

Monoisotopic mass

506.1424 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Bidens frondosa L. leaf -
Karikome, H., Ogawa, K., Sashida, Y. (1992). New acylated glucosides of chalcone from the leaves of Bidens frondosa. Chem Pharm Bull, 40(3), 689-691 doi:10.1248/cpb.40.689