6-(6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Basic information
- CAS
108602-35-3- Standard SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
UUADGBNGCDJIKC-IDXXUKCSSA-N- Molecular formula
- C27H30O15
- Average molar mass
- 594.5 g/mol
- Monoisotopic mass
- 594.15847025
Names & identifiers
- Preferred name
- 6-(6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Names & synonyms
108602-35-36-(6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-oneRefChem:306698Isoorientin 6''-O-rhamnosideMEGxp0_001124ACon1_001049DTXSID901106618LMPK12110496NCGC00169724-01BRD-K98599920-001-01-46-[6-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
108602-35-3- PubChem CID
- 23928129
- DTXSID
DTXSID901106618- Nikkaji
- J2.401.650A
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 995
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…