4H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
Basic information
- CAS
88109-95-9- Standard SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
DCURCHSUQXPCGS-NNTGZONMSA-N- Molecular formula
- C21H20O9
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.11073221
Overview
See also: Apigenin 7-rhamnoside (annotation moved to).
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
- IUPAC
- 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Names & synonyms
4H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-88109-95-9CHEMBL4550704apigenin-7-O-L-rhamnopyranosideDTXSID20236824BDBM50524079LMPK121103425,7,4'-Trihydroxyflavone 7-rhamnoside5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-deoxy-alpha-L-mannopyranoside
Database identifiers
- CAS
88109-95-9- PubChem CID
- 5488795
- DTXSID
DTXSID20236824- ChEMBL
CHEMBL4550704
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
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Related reactions
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Compound notes
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