Corchoionol C 9-glucoside
PubChem CID: 13857517
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| Compound Synonyms | Corchoionol C 9-glucoside, 4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one, SCHEMBL24481908, CHEBI:168230 |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | SWYRVCGNMNAFEK-AATRIKPKSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-glucoside, 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-O-b-D-glucopyranoside, 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-O-b-D-glucoside, Roseoside, Vomifoliol 9-glucoside, Vomifoliol 9-O-b-D-glucopyranoside, Vomifoliol 9-O-b-D-glucoside, (+)-Corchoionoside C, Corchoionol C 9-glucoside, Corchoionol C 9-O-b-D-glucopyranoside, Corchoionol C 9-O-b-D-glucoside, Corchoionoside C |
| Heavy Atom Count | 27.0 |
| Compound Name | Corchoionol C 9-glucoside |
| Description | Constituent of Vitis vinifera cv. Gewürztraminer. 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-glucoside is found in alcoholic beverages and fruits. |
| Exact Mass | 386.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.194 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 613.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 386.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+ |
| Smiles | CC1=CC(=O)CC(C1(/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C |
| Xlogp | -1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C19H30O8 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all