6-Hydroxykaempferol 3-rutinoside 6-glucoside
PubChem CID: 74978444
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | VFA13463, 6-Hydroxykaempferol 3-rutinoside 6-glucoside |
|---|---|
| Topological Polar Surface Area | 345.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Inchi Key | NEXCWFVNYYIZCR-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 3,4',5,6,7-Pentahydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 6-O-b-D-glucopyranoside, 6-Hydroxykaempferol 3-rutinoside-6-glucoside |
| Heavy Atom Count | 54.0 |
| Compound Name | 6-Hydroxykaempferol 3-rutinoside 6-glucoside |
| Description | 6-hydroxykaempferol 3-rutinoside 6-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. 6-hydroxykaempferol 3-rutinoside 6-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3-rutinoside 6-glucoside can be found in safflower, which makes 6-hydroxykaempferol 3-rutinoside 6-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 772.206 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 772.206 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1310.0 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 772.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O21/c1-9-17(37)22(42)25(45)31(49-9)48-8-15-19(39)24(44)27(47)33(52-15)54-30-21(41)16-13(50-28(30)10-2-4-11(35)5-3-10)6-12(36)29(20(16)40)53-32-26(46)23(43)18(38)14(7-34)51-32/h2-6,9,14-15,17-19,22-27,31-40,42-47H,7-8H2,1H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C(=C(C(=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O |
| Xlogp | -3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H40O21 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all