precursor

Showing entry for cis-resveratrol 2-C-glucoside

Identification

PhytoHub ID
PHUB001560
Name
cis-resveratrol 2-C-glucoside
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
390.388
Monoisotopic Mass
390.131467668
Chemical Formula
C20H22O8
IUPAC Name
6-{2,4-dihydroxy-6-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol
InChI Key
YRYYDGVODITVQQ-RJRFIUFISA-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
39.3985224578214
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.390361798276411
pKa (strongest acidic)
9.06880909331439
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

NameGroup
Riesling wineBeverages, Alcoholic PublicationsShow

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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