Trilobatin
1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Also Known As: Trilobatin|p-Phlorizin|p-Phloridzin|PRUNINDIHYDROCHALCONE|phloretin-4'-O-glucoside|phloretin 4'-glucoside|PRUNIN DIHYDROCHALCONE|Trilobatin (Standard)|Phloretin-4-O-glucoside|PHLORIZIN, P-|Phloretin 4 -glucoside|phloretin-4'-beta-D-glucoside|FEMA NO. 4674|Phloretin 4 -O-glucoside|MEGxp0_002006|ACon1_000618|HY-N4100R|HY-N4100|phloretin-4'-beta-D-glucopyranoside|NP0949|s9064|NCGC00168907-01|PHLORETIN 4'-.BETA.-D-GLUCOSIDE
| Molecular Formula | C21H24O10 |
|---|---|
| Molecular Weight | 436.13693 g/mol |
| LogP | -0.2024 |
| Topological Polar Surface Area | 177.14 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.13693 |
| Monoisotopic Mass | 436.13693 |
| Heavy Atoms | 31 |
| Complexity | 887.87164 |
Chemical Identifiers
| CAS Number | 4192-90-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
Product Overview
Trilobatin (CAS 4192-90-9), with molecular formula C21H24O10 and molecular weight 436.13693 g/mol. IUPAC: 1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one.