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Hypolaetin-8-glucoside

PubChem CID: 5318255

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Compound Synonyms Hypolaetin-8-glucoside, 27686-36-8, UNII-82IW02I7T8, 82IW02I7T8, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, CHEMBL4097078, DTXSID70182044, HYPOLETIN 8-.BETA.-D-GLUCOPYRANOSIDE, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-, (9(2R,5S,6R))-, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-, (9(2R,5S,6R))-, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, SCHEMBL21752781, DTXCID80104535, LQSNPVIQIPKOGP-OACYRQNASA-N, BDBM50253014, HYPOLETIN 8-BETA-D-GLUCOPYRANOSIDE, HYPOLAETIN 8-O-.BETA.-D-GLUCOSIDE, Q27269334, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-8-(BETA-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-
Topological Polar Surface Area 207.0
Hydrogen Bond Donor Count 8.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 745.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P47989
Iupac Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Prediction Hob 0.0
Xlogp 0.2
Molecular Formula C21H20O12
Prediction Swissadme 0.0
Inchi Key LQSNPVIQIPKOGP-OACYRQNASA-N
Fcsp3 0.2857142857142857
Logs -4.018
Rotatable Bond Count 4.0
Logd -0.08
Compound Name Hypolaetin-8-glucoside
Prediction Hob Swissadme 0.0
Exact Mass 464.095
Formal Charge 0.0
Monoisotopic Mass 464.095
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 464.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -2.410737678787879
Inchi InChI=1S/C21H20O12/c22-6-14-16(28)17(29)18(30)21(32-14)33-19-12(27)4-10(25)15-11(26)5-13(31-20(15)19)7-1-2-8(23)9(24)3-7/h1-5,14,16-18,21-25,27-30H,6H2/t14-,16-,17+,18-,21+/m1/s1
Smiles C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0