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Luteolin 5-glucoside

PubChem CID: 5317471

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Compound Synonyms 20344-46-1, Luteolin-5-O-glucoside, Luteolin 5-glucoside, Luteollin 5-glucoside, Luteolin 5-O-glucoside, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-, CNI9E8ORF6, 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, luteolin-5-o-beta-d-glucopyranoside, Luteolin-5-O-beta-D-glucoside, Luteollin5-glucoside, UNII-CNI9E8ORF6, SCHEMBL242602, DTXSID30942500, LUTEOLIN 5-GLUCOSIDE [MI], HY-N2008, AKOS016010674, FS-9833, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-, DA-55080, OL159316, PD164892, CS-0018328, LUTEOLIN 5-O-.BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-5-yl hexopyranoside, 2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl-beta-D-glucopyranoside, 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}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 714.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Nih Violation False
Prediction Hob 0.0
Xlogp 0.0
Is Pains True
Molecular Formula C21H20O11
Prediction Swissadme 0.0
Inchi Key KBGKQZVCLWKUDQ-QNDFHXLGSA-N
Fcsp3 0.2857142857142857
Logs -2.593
Rotatable Bond Count 4.0
Logd 0.813
Compound Name Luteolin 5-glucoside
Prediction Hob Swissadme 0.0
Exact Mass 448.101
Formal Charge 0.0
Brenk Violation True
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
Esol -2.2030560000000006
Inchi InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Smiles C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0