precursor

Showing entry for Galloyl glucose

Identification

PhytoHub ID
PHUB000307
Name
Galloyl glucose
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
332.261
Monoisotopic Mass
332.074346715
Chemical Formula
C13H16O10
IUPAC Name
(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl 3,4,5-trihydroxybenzoate
InChI Key
KGHSLXLLBHRMML-PHSPRSPYSA-N
InChI Identifier
InChI=1S/C13H16O10/c1-21-12-9(18)8(17)10(19)13(23-12)22-11(20)4-2-5(14)7(16)6(15)3-4/h2-3,8-10,12-19H,1H3/t8-,9-,10+,12-,13?/m0/s1
SMILES
CO[[email protected]]1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.02e+01 g/l
LogS (ALOGPS)
-1.22
LogP (ALOGPS)
-0.71
Hydrogen Acceptors
9
Hydrogen Donors
6
Rotatable Bond Count
4
Polar Surface Area
166.14000000000001
Refractivity
71.50670000000001
Polarizability
29.732882140936415
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.712018334954593
pKa (strongest acidic)
8.082612240623572
Number of Rings
2
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxybenzoic acids

Spectra

No spectra information available

Food Sources

NameGroup
Pomegranate juiceBeverages, Non-alcoholic PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

Back