5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
PubChem CID: 14375136
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| Compound Synonyms | PD192969, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 286.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | GIHCVNUAKOTVCJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 3,4',5,6,7-Pentahydroxyflavone 3,6-di-O-b-D-glucopyranoside, 3,4',5,6,7-Pentahydroxyflavone 3,6-di-O-b-D-glucoside, 6-Hydroxykaempferol 3,6-diglucoside |
| Heavy Atom Count | 44.0 |
| Compound Name | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
| Description | 6-hydroxykaempferol 3,6-diglucoside 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 3,6-diglucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3,6-diglucoside can be found in safflower, which makes 6-hydroxykaempferol 3,6-diglucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 626.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 626.148 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 626.5 |
| 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)-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H30O17/c28-6-12-15(32)19(36)21(38)26(41-12)43-24-10(31)5-11-14(17(24)34)18(35)25(23(40-11)8-1-3-9(30)4-2-8)44-27-22(39)20(37)16(33)13(7-29)42-27/h1-5,12-13,15-16,19-22,26-34,36-39H,6-7H2 |
| Smiles | C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| Xlogp | -1.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H30O17 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all