precursor

Showing entry for Phloretin-2'-O-glucoside

Identification

PhytoHub ID
PHUB002505
Name
Phloretin-2'-O-glucoside
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
422.386
Monoisotopic Mass
422.121296908
Chemical Formula
C20H22O10
IUPAC Name
1-{2,4-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]phenyl}-3-(4-hydroxyphenyl)propan-1-one
InChI Key
YXBXUTMROSSOKN-UHFFFAOYNA-N
InChI Identifier
InChI=1/C20H22O10/c21-10-4-1-9(2-5-10)3-6-12(23)15-13(24)7-11(22)8-14(15)29-20-18(27)16(25)17(26)19(28)30-20/h1-2,4-5,7-8,16-22,24-28H,3,6H2
SMILES
OC1OC(OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)C(O)C(O)C1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.00e+00 g/l
LogS (ALOGPS)
-2.32
LogP (ALOGPS)
0.51
Hydrogen Acceptors
10
Hydrogen Donors
7
Rotatable Bond Count
6
Polar Surface Area
177.14
Refractivity
100.91909999999997
Polarizability
40.47106928836059
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.711791307798203
pKa (strongest acidic)
7.869467364453195
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Dihydrochalcones

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

NameGroup
CiderBeverages, 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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