Basic information
- CAS
27686-36-8- Standard 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- Molecular formula
- C21H20O12
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.09547608
Overview
hypolaetin-8-glucoside has been reported in Crotalaria sessiliflora, Sideritis pungens, and other organisms with data available.
Names & identifiers
- Preferred name
- Hypolaetin-8-glucoside
- IUPAC
- 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
- English name
- hypolaetin-8-glucoside
- Molecular formula
- C21H20O12
- Molecular weight
- 464.38
Names & synonyms
Hypolaetin-8-glucoside27686-36-882IW02I7T8DTXSID701820442-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one4H-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-oneRefChem:147452DTXCID80104535CHEMBL40970788-Hydroxyluteolin 8-glucosideHypolaetin 8-O-beta-D-glucoside
Show more names
Hypolaetin 8-O-glucosideHipolaetin 8-β-D-glucosideHYPOLAETIN-8-BETA-D-GLUCOSIDE3',4',5,7-Tetrahydroxy-8-(β-D-glucopyranosyloxy)flavone8-[(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-glucopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-
UNII-82IW02I7T8SCHEMBL21752781LQSNPVIQIPKOGP-OACYRQNASA-NBDBM50253014LMPK12111372HYPOLAETIN 8-O-.BETA.-D-GLUCOSIDEHYPOLETIN 8-.BETA.-D-GLUCOPYRANOSIDE5,7,8,3',4'-Pentahydroxyflavone 8-glucoside
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 745
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 266 · 266-267 °C
- Boiling point
- 865.1 · 865.1±65.0 °C(Predicted)
- Density
- 1.785 · 1.785±0.06 g/cm3(Predicted)
- pka
- 5.89 · 5.89±0.40(Predicted)
- FDA UNII
- 82 IW02I7T8 · 82IW02I7T8
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
1 records
Compound notes
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