| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 23 | No |
Popular Name: 1-O-galloyl-beta-D-glucose 1-O-galloyl-beta-D-glucose
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13405-60-2 , 554-37-0
1-O-galloyl-beta-D-glucose; 1-galloyl-beta-glucose; 554-37-0; beta-glucogallin
CHEBI:11255; CHEBI:655; CHEBI:11210; CHEBI:11217; CHEBI:18984
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.47 | -10.84 | -16.75 | 7 | 10 | 0 | 177 | 332.261 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.199 | Bitter DB |
| PUBCHEM_PATENT_ID | WO1997041137A1 | IBM Patent Data |
