5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
PubChem CID: 74978445
Connections displayed (default: 10).
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| Topological Polar Surface Area | 365.0 |
|---|---|
| Hydrogen Bond Donor Count | 14.0 |
| Inchi Key | ZYJKKAOXNQVUMQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 3,4',5,6,7-Pentahydroxyflavone 3,6,7-tri-O-b-D-glucopyranoside, 3,4',5,6,7-Pentahydroxyflavone 3,6,7-tri-O-glucoside, 6-Hydroxykaempferol 3,6,7-triglucoside |
| Heavy Atom Count | 55.0 |
| Compound Name | 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
| Description | 6-hydroxykaempferol 3,6,7-triglucoside 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. 6-hydroxykaempferol 3,6,7-triglucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3,6,7-triglucoside can be found in safflower, which makes 6-hydroxykaempferol 3,6,7-triglucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 788.201 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 788.201 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1330.0 |
| Hydrogen Bond Acceptor Count | 22.0 |
| Molecular Weight | 788.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2 |
| Smiles | C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O |
| Xlogp | -3.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H40O22 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all