Identification

PhytoHub ID
PHUB000305
Name
Gallic acid 4-O-glucoside
Synonyms
Not Available
CAS Number
Not Available
Average Mass
332.261
Monoisotopic Mass
332.074346715
Chemical Formula
C13H16O10
IUPAC Name
3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
InChI Key
YPSNWSNUXIIKHO-YANYRWCTSA-N
InChI Identifier
InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1
SMILES
[H][C@]1(CO)O[C@@]([H])(OC2=C(O)C=C(C=C2O)C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
Structure

Calculated Properties

Solubility (ALOGPS)
2.04e+01 g/l
LogS (ALOGPS)
-1.21
LogP (ALOGPS)
-1.10
Hydrogen Acceptors
10
Hydrogen Donors
7
Rotatable Bond Count
4
Polar Surface Area
177.14
Refractivity
71.4013
Polarizability
29.943708348914672
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.9810923662009268
pKa (strongest acidic)
3.8844141432859303
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxybenzoic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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