Frangulatrioside A
PubChem CID: 14228854
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Frangulatrioside A |
|---|---|
| Topological Polar Surface Area | 304.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | YZCAVCYYHPLAIN-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | Frangulatrioside A, Kaempferol 3-isorhamninoside |
| Heavy Atom Count | 52.0 |
| Compound Name | Frangulatrioside A |
| Description | Frangulatrioside a 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. Frangulatrioside a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Frangulatrioside a can be found in lima bean, which makes frangulatrioside a a potential biomarker for the consumption of this food product. |
| Exact Mass | 740.216 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 740.216 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1260.0 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 740.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[6-[[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3 |
| Smiles | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)C)O)O)O |
| Xlogp | -2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H40O19 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all