PhytoHub: Showing entry for Oxyresveratrol-4-O-β-D-glucoside

Oxyresveratrol-4-O-β-D-glucoside

Identification

PhytoHub ID

PHUB001550

Name

Oxyresveratrol-4-O-β-D-glucoside

Systematic Name

Not Available

Synonyms

Oxyresveratrol-4-O-β-D-glucopyranoside

CAS Number

Not Available

Average Mass

406.387

Monoisotopic Mass

406.126382288

Chemical Formula

C₂₀H₂₂O₉

IUPAC Name

2-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI Key

QNJXAEVGLMVYJF-OWOJBTEDSA-N

InChI Identifier

InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-4-3-11(15(24)8-14)2-1-10-5-12(22)7-13(23)6-10/h1-8,16-27H,9H2/b2-1+

SMILES

[H]\C(=C(\[H])C1=C(O)C=C(OC2OC(CO)C(O)C(O)C2O)C=C1)C1=CC(O)=CC(O)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 7.73e-01 g/l
LogS (ALOGPS): -2.72
LogP (ALOGPS): 0.41
Hydrogen Acceptors: 9
Hydrogen Donors: 7
Rotatable Bond Count: 5
Polar Surface Area: 160.07
Refractivity: 101.58079999999998
Polarizability: 41.00661664606527
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.9810923437225725
pKa (strongest acidic): 8.543233951406663
Number of Rings: 3
Rule of Five: No
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Stilbene metabolites
Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Mulberroside A	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Mulberroside A		Oxyresveratrol-4-O-β-D-glucoside	in vitro (human) in vitro (rat)	gut microbiota	gut microbiota metabolite	Not Available	Not Available	Not Available	C₂₀H₂₂O₉	406.126382288		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Oxyresveratrol-4-O-β-D-glucoside