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C₂₂H₂₂O₉CAS 486-62-4430.41 g/mol

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Acetal Alcohol Ether

Properties

Molecular formula: C₂₂H₂₂O₉
Molar mass: 430.41 g/mol
Exact mass: 430.1264 Da
Melting point: 245 °C
logP: 0.65Crippen estimate
Polar surface area: 138.8 Å²
H-bond donors / acceptors: 4 / 9
Rotatable bonds: 5
Stereocentres: S, R, S, S, Rin SMILES atom order

Identifiers

CAS number

486-62-4

SMILES

COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1

InChIKey

MGJLSBDCWOSMHL-MIUGBVLSSA-N

InChI

InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1

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Names and synonyms

12 names

4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-
7-(β-D-Glucopyranosyloxy)-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formononetin 7-O-glucoside
Formononetin 7-O-β-D-glucopyranoside
7-(β-Glucosyloxy)-3-(4-methoxyphenyl)isoflavone
Formononetin 7-O-β-D-glucoside
Ononoside
Formononetin glucoside
Formononetin 7-glucoside
7-Hydroxy-4′-methoxyisoflavone-7-O-β-D-glucoside
Formononetin 7β-D-glucopyranoside
Formononetin-7-O-β-D-glycoside

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Similar compounds

Daidzin552-66-983 % similar Glycitin40246-10-469 % similar Sophoricoside152-95-462 % similar Genistin529-59-962 % similar 4′,7-Dimethoxyisoflavone1157-39-760 % similar Tectoridin611-40-559 % similar Complanatuside116183-66-558 % similar Methylarbutin6032-32-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Daidzein 7-O-beta-D-glucoside 4''-O-methylate1195968-02-5

Elsewhere

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