Kaempferol 7-O-beta-D-glucoside-O-alpha-L-rhamnosyl
PubChem CID: 157009947
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| Compound Synonyms | Kaempferol 7-O-beta-D-glucoside-O-alpha-L-rhamnosyl |
|---|---|
| Topological Polar Surface Area | 245.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | RYLUXBBORJVNNZ-NSFRTSHWSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 42.0 |
| Compound Name | Kaempferol 7-O-beta-D-glucoside-O-alpha-L-rhamnosyl |
| Description | Kaempferol 7-o-beta-d-glucoside-o-alpha-l-rhamnosyl is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferol 7-o-beta-d-glucoside-o-alpha-l-rhamnosyl is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 7-o-beta-d-glucoside-o-alpha-l-rhamnosyl can be found in lentils, which makes kaempferol 7-o-beta-d-glucoside-o-alpha-l-rhamnosyl a potential biomarker for the consumption of this food product. |
| Exact Mass | 594.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 985.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 594.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | 7-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H30O15/c1-9-24(42-27-22(36)19(33)17(31)15(8-28)41-27)21(35)23(37)26(38-9)39-12-6-13(30)16-14(7-12)40-25(20(34)18(16)32)10-2-4-11(29)5-3-10/h2-7,9,15,17,19,21-24,26-31,33-37H,8H2,1H3/t9-,15+,17+,19-,21-,22+,23+,24-,26-,27-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| Xlogp | -0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H30O15 |
- 1. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:fooddb_chem_all