HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hypolaetin-8-glucoside
hypolaetin-8-glucoside · Hypolaetin 8-O-glucoside · Hipolaetin 8-β-D-glucoside · HYPOLAETIN-8-BETA-D-GLUCOSIDE · 3',4',5,7-Tetrahydroxy-8-(β-D-glucopyranosyloxy)flavone · 8-[(β-D-Glucopyranosyl)oxy]-3',4',5,7-tetrahydroxyflavone · [2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy 4-oxo-4H-1-benzopyran-8-yl]β-D-glucopyranoside · 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-
Identifikatoren & physikalische Daten
| CAS No. | 27686-36-8 |
|---|---|
| Summenformel | C21H20O12 |
| Durchschnittliche Molmasse | 464,4 g/mol |
| Monoisotopische Masse | 464,09547608 g/mol |
| SMILES | O=c1cc(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12 |
| InChIKey | LQSNPVIQIPKOGP-OACYRQNASA-N |
| PubChem CID | 5318255 |
| ChEMBL | CHEMBL4097078 |
| DTXSID | DTXSID70182044 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 207 |
| H-Brücken-Donoren | 8 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 745 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211] |
| Schmelzpunkt | 266-267 °C |
| Siedepunkt | 865.1±65.0 °C(Predicted) |
| Dichte | 1.785±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 5.89±0.40(Predicted) |