Identification

PhytoHub ID
PHUB000216
Name
6''-O-Acetylglycitin
Synonyms
  • 6''-O-acetyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside
  • 6''-O-Acetylglycitein 7-O-glucoside
  • Acetylglycitin
CAS Number
Not Available
Average Mass
488.445
Monoisotopic Mass
488.131861593
Chemical Formula
C24H24O11
IUPAC Name
(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate
InChI Key
DUBPGEJGGVZKDD-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3
SMILES
COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1OC1OC(COC(C)=O)C(O)C(O)C1O
Structure

Calculated Properties

Solubility (ALOGPS)
3.32e-01 g/l
LogS (ALOGPS)
-3.17
LogP (ALOGPS)
1.41
Hydrogen Acceptors
10
Hydrogen Donors
4
Rotatable Bond Count
7
Polar Surface Area
161.20999999999998
Refractivity
117.46109999999997
Polarizability
48.40548709357088
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.649102835136934
pKa (strongest acidic)
8.96255761984292
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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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