Basic information
- CAS
80007-06-3- Standard SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12- InChIKey
XJHWBSXROLODMH-VPRICQMDSA-N- Molecular formula
- C21H20O12
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.09547607
Names & identifiers
- Preferred name
- 6-Hydroxyluteolin-5-beta-D-glucoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosy loxy)-6,7-dihydroxy-
- Molecular weight
- 0
Names & synonyms
6-Hydroxyluteolin-5-beta-D-glucoside80007-06-3DTXSID202300044H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-6,7-dihydroxy-2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:104815DTXCID801524956-Hydroxyluteolin 5-glucosideLMPK121111755,6,7,3',4'-Pentahydroxyflavone 5-glucoside2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranoside
Show more names
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosy loxy)-6,7-dihydroxy-
Database identifiers
- CAS
80007-06-3- PubChem CID
- 5488685
- DTXSID
DTXSID20230004
Properties
Computed structural properties
- XLogP
- -0.4
- 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]
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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