Identification

PhytoHub ID
PHUB000591
Name
Coumaric acid-4'-O-glucoside
Systematic Name
Not Available
Synonyms
  • 4-hydroxy-cinnamic acid-4-O-glucoside
  • trans-Coumaric acid glucoside
CAS Number
Not Available
Average Mass
326.301
Monoisotopic Mass
326.10016754
Chemical Formula
C15H18O8
IUPAC Name
(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
InChI Key
LJFYQZQUAULRDF-FDGSXQGBSA-N
InChI Identifier
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(O)=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
5.08e+00 g/l
LogS (ALOGPS)
-1.81
LogP (ALOGPS)
-0.35
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
136.68
Refractivity
77.18520000000001
Polarizability
31.93980428791113
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.981092343686506
pKa (strongest acidic)
3.531352886083869
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxycinnamic acids

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

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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