Identification

PhytoHub ID
PHUB000301
Name
Ellagic acid arabinoside
Synonyms
  • 4-Arabinosyl-ellagic acid
  • Ellagic acid 4-α-L-arabinofuranoside
CAS Number
Not Available
Average Mass
434.309
Monoisotopic Mass
434.048525891
Chemical Formula
C19H14O12
IUPAC Name
7,13,14-trihydroxy-6-{[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
InChI Key
KNURQRIPZJJYQO-CETNRSAQSA-N
InChI Identifier
InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14+,19-/m0/s1
SMILES
O[C@H]1CO[C@@H](OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@H](O)[C@@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
3.40e+00 g/l
LogS (ALOGPS)
-2.11
LogP (ALOGPS)
0.77
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
2
Polar Surface Area
192.44
Refractivity
96.78949999999999
Polarizability
39.238766022460624
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.5265985239784365
pKa (strongest acidic)
5.829441859641029
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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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