Hypochoeroside A
PubChem CID: 157010102
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hypochoeroside A |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | CPKWYFUGBHLPGR-SXFWLWNESA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (+)-Hypochoeroside A, Hypochoeroside A |
| Heavy Atom Count | 30.0 |
| Compound Name | Hypochoeroside A |
| Description | Hypochoeroside a belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Hypochoeroside a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Hypochoeroside a can be found in endive, which makes hypochoeroside a a potential biomarker for the consumption of this food product. |
| Exact Mass | 428.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.205 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 690.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 428.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,10E)-9-hydroxy-3,6,10-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C21H32O9/c1-9-4-5-12(23)10(2)7-14-16(11(3)20(27)28-14)13(6-9)29-21-19(26)18(25)17(24)15(8-22)30-21/h4,7,11-19,21-26H,5-6,8H2,1-3H3/b9-4+,10-7+ |
| Smiles | CC1C2C(C/C(=C/CC(/C(=C/C2OC1=O)/C)O)/C)OC3C(C(C(C(O3)CO)O)O)O |
| Xlogp | -0.7 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C21H32O9 |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Endivia (Plant) Rel Props:Source_db:fooddb_chem_all