Identification

PhytoHub ID
PHUB000228
Name
Glycitin
Synonyms
  • 7,4'-Dihydroxyi-6-methoxyisoflavone 7-O-glucoside
  • Glycitein 7-O-glucoside
CAS Number
Not Available
Average Mass
446.408
Monoisotopic Mass
446.121296908
Chemical Formula
C22H22O10
IUPAC Name
glycitin
InChI Key
OZBAVEKZGSOMOJ-MIUGBVLSSA-N
InChI Identifier
InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES
COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.39e-01 g/l
LogS (ALOGPS)
-2.92
LogP (ALOGPS)
0.83
Hydrogen Acceptors
10
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
155.14000000000001
Refractivity
108.30959999999997
Polarizability
44.47019236111948
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810923549436046
pKa (strongest acidic)
8.96255671455879
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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