Identification

PhytoHub ID
PHUB000403
Name
Eriodictyol-8-C-glucoside
Synonyms
Not Available
CAS Number
Not Available
Average Mass
450.396
Monoisotopic Mass
450.116211528
Chemical Formula
C21H22O11
IUPAC Name
8-C-glucopyranosyleriodictylol
InChI Key
CMVYWFJFAHQVQP-GJNDOSSTSA-N
InChI Identifier
InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13?,14-,17-,18+,19-,21+/m1/s1
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.25e+00 g/l
LogS (ALOGPS)
-2.14
LogP (ALOGPS)
-0.17
Hydrogen Acceptors
11
Hydrogen Donors
8
Rotatable Bond Count
3
Polar Surface Area
197.36999999999998
Refractivity
106.38900000000002
Polarizability
42.66213284837286
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.644730893157128
pKa (strongest acidic)
7.453718858069355
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

No spectra information available

Food Sources

NameGroup
Rooibos teaBeverages, Non-alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Eriodictyol-8-C-glucoside Eriodictyol O-glucuronidehumanurine (minor)C21H20O12464.3829549 Publications
Eriodictyol-8-C-glucoside Eriodictyol O-sulfatehumanurine (major)C15H12O9S368.3194001 Publications
Back