4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-
Basic information
- CAS
78134-93-7- Standard SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12- InChIKey
FMDABYSWHIAMNR-IKGGOBQTSA-N- Molecular formula
- C27H30O16
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 610.15338487
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-
- IUPAC
- 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Names & synonyms
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-78134-93-7DTXSID302287905,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-beta-D-mannopyranosyl-beta-D-glucopyranoside
Database identifiers
- CAS
78134-93-7- PubChem CID
- 5488658
- DTXSID
DTXSID30228790
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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