Daphnin
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: Daphnin|Daphnoside|Daphnin (Standard)|DAPHNIN [MI]|HY-N7252R|8-Hydrroxycoumarin-7-O-glucoside|Daphnetin 7-|A-D-glucopyranoside|7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin|HY-N7252|7-GLUCOSIDO-8-HYDROXYCOUMARIN|DAPHNETIN 7-.BETA.-D-GLUCOSIDE|NCGC00160173-01|7,8-dihydroxycoumarin 7-beta-D-glucoside|8-hydroxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside|8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one|7-(|A-D-Glucopyranosyloxy)-8-hydroxycoumarin|7-(beta-D-glucopyranosyloxy)-8-hydroxy-2H-chromen-2-one|7,8-DIHYDROXYCOUMARIN 7-.BETA.-D-GLUCOSIDE|8-Hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one|8-Hydroxy-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranoside|7-(beta-D-Glucopyranosyloxy)-8-hydroxy-2H-1-benzopyran-2-one|B1370-023548
| Molecular Formula | C15H16O9 |
|---|---|
| Molecular Weight | 340.07944 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.07944 |
| Monoisotopic Mass | 340.07944 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 486-55-5 |
|---|---|
| SMILES | C1=CC(=C(C2=C1C=CC(=O)O2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | HOIXTKAYCMNVMY-PVOAASPHSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Daphnin (CAS 486-55-5), with molecular formula C15H16O9 and molecular weight 340.07944 g/mol. IUPAC: 8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.