Quercetin 3-O-acetyl-rhamnoside
precursor
Showing entry for Quercetin 3-O-acetyl-rhamnoside
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
Structure for Quercetin 3-O-acetyl-rhamnoside
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
External Links
- PubChem
- 74029664
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