Glycoside
GD014420
Name:
1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethan-1-oneFormula:
C9H14O5N2Smiles:
CC(=O)c1nc([C@H](O)[C@H](O)[C@H](O)CO)c[nH]1Aglycone:
CC(=O)c1ncc[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 230.22 | Num_heavy_atoms: | 16 |
| TPSA: | 126.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD09119
Formula: C5H6ON2
Smiles:
CC(=O)c1ncc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.12 | Num_heavy_atoms: | 8 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
