Identification

PhytoHub ID
PHUB000707
Name
Quercetin 3-O-acetyl-rhamnoside
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
490.417
Monoisotopic Mass
490.111126148
Chemical Formula
C23H22O12
IUPAC Name
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate
InChI Key
QYSPPPJDISHVRH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C23H22O12/c1-8-17(29)19(31)22(33-9(2)24)23(32-8)35-21-18(30)16-14(28)6-11(25)7-15(16)34-20(21)10-3-4-12(26)13(27)5-10/h3-8,17,19,22-23,25-29,31H,1-2H3
SMILES
CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(OC(C)=O)C(O)C1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.15e+00 g/l
LogS (ALOGPS)
-2.63
LogP (ALOGPS)
2.39
Hydrogen Acceptors
11
Hydrogen Donors
6
Rotatable Bond Count
5
Polar Surface Area
192.43999999999997
Refractivity
116.8833
Polarizability
46.28985700361463
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.612922572809443
pKa (strongest acidic)
6.372403248635596
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra from Phytohub

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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