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

Food Sources

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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