PhytoHub: Showing entry for trans-resveratrol-2-C-glucoside

trans-resveratrol-2-C-glucoside

Identification

PhytoHub ID

PHUB001559

Name

trans-resveratrol-2-C-glucoside

Systematic Name

Not Available

Synonyms

3,5,4'-trihydroxystilbene 2-C-glucoside
trans-3,5,4'-trihydroxystilbene 2-C-glucoside

CAS Number

Not Available

Average Mass

390.388

Monoisotopic Mass

390.131467668

Chemical Formula

C₂₀H₂₂O₈

IUPAC Name

6-{2,4-dihydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol

InChI Key

YRYYDGVODITVQQ-DAFODLJHSA-N

InChI Identifier

InChI=1S/C20H22O8/c21-11-5-2-9(3-6-11)1-4-10-7-12(22)8-13(23)14(10)15-16(24)18(26)20(28)19(27)17(15)25/h1-8,15-28H/b4-1+

SMILES

OC1C(O)C(O)C(C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.88e+00 g/l
LogS (ALOGPS): -2.13
LogP (ALOGPS): 0.46
Hydrogen Acceptors: 8
Hydrogen Donors: 8
Rotatable Bond Count: 3
Polar Surface Area: 161.84
Refractivity: 100.58679999999997
Polarizability: 39.50713626227927
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -3.390361798276411
pKa (strongest acidic): 8.568906325200556
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 Food Phytochemical

Family: Polyphenols
Class: Stilbenes
Sub-class: Not Available

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

	Name	Group
	Grape wine	Beverages, Alcoholic	Publications	Show
	Riesling wine	Beverages, Alcoholic	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for trans-resveratrol-2-C-glucoside