Basic information
- CAS
34413-70-2- Standard SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1- InChIKey
WKCLNKNXMSVMEW-GRMHDWRHSA-N- Molecular formula
- C23H24O10
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 460.13694696
Names & identifiers
- Preferred name
- Pectolinarigenin 7-rhamnoside
- IUPAC
- 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Names & synonyms
Pectolinarigenin 7-rhamnoside34413-70-24H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyrosyl)oxy)-5-hydroxy-6-methyoxy-2-(4-methoxyphenyl)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-oneRefChem:170653DTXSID80955963LMPK121111245-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-deoxyhexopyranoside5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-deoxy-alpha-L-mannopyranoside
Database identifiers
- CAS
34413-70-2- PubChem CID
- 182191
- DTXSID
DTXSID80955963
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 720
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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