Sophoraflavone A
Basic information
- CAS
105594-08-9- Standard SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)ccc3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QWQINSCQRIBWBV-VEWXVMPQSA-N- Molecular formula
- C27H30O13
- Average molar mass
- 562.5 g/mol
- Monoisotopic mass
- 562.16864101
Names & identifiers
- Preferred name
- Sophoraflavone A
- IUPAC
- 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 8-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-7-hydroxy-2-(4-hydroxyphenyl)-
- Molecular formula
- C27H30O13
- Molecular weight
- 562.52
Names & synonyms
sophoraflavone a105594-08-94H-1-Benzopyran-4-one, 8-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-7-hydroxy-2-(4-hydroxyphenyl)-8-((2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-oneRefChem:184355orb2299337DTXSID10909616LMPK12110023TN7429FS-85687,4'-Dihydroxyflavone 8-C-[rhamnosyl-(1->2)-glucoside]
Show more names
4H-1-Benzopyran-4-one, 8-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-7-hydroxy-2-(4-hydroxyphenyl)-
(1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol1,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]hexitol
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 922
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 831.2 · 831.2±65.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 6.43 · 6.43±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…