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Quercetin 3-O-rhamnoside

PubChem CID: 5353915

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Compound Synonyms Quercetin 3-O-rhamnoside, Quercetin-3-O-rhamnoside, CHEMBL82242, Quercetin 3-O-.alpha.-L-rhamnoside, SCHEMBL147093, Flavonol base + 4O, O-dHex, DTXSID40871736, BDBM513036, HMS3355G11, acs.jmedchem.1c00409_ST.632, BDBM50022445, LS-14858, DB-052096, 3,4',5,7-Pentahydroxyflavone-3-L-rhamnoside, Flavone,3',4',5,7-pentahydroxy-, 3-rhamnoside, Quercetin, 3-(6-deoxy-.alpha.-L-mannopyranoside), 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-5,7-dihydroxy, WLN: T66 BO EVJ CR CQ DQ& GQ IQ DO- BT6OTJ CQ DQ EQ F1, Flavone,3',4',5,7-pentahydroxy-, 3-(6-deoxy-.alpha.-L-mannopyranoside), 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside, 2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
Topological Polar Surface Area 186.0
Hydrogen Bond Donor Count 7.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 741.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Prediction Hob 0.0
Class Flavonoids
Xlogp 0.9
Superclass Phenylpropanoids and polyketides
Subclass Flavonoid glycosides
Molecular Formula C21H20O11
Prediction Swissadme 0.0
Inchi Key OXGUCUVFOIWWQJ-UHFFFAOYSA-N
Fcsp3 0.2857142857142857
Logs -4.03
Rotatable Bond Count 3.0
Logd 1.594
Synonyms Quercetin 3-O-rhamnoside, Quercetin-3-L-rhamnoside, Quercitrin, Quercetrin
Compound Name Quercetin 3-O-rhamnoside
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 448.101
Formal Charge 0.0
Monoisotopic Mass 448.101
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 448.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -2.9683560000000004
Inchi InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3
Smiles CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Flavonoid-3-O-glycosides