Glycoside
GD038345
Name:
2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranoseFormula:
C11H16O6NClSmiles:
O=C(C=CCCl)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
NC(=O)C=CCClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.69 | Num_heavy_atoms: | 18 |
| TPSA: | 119.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD23977
Formula: C5H6ONCl
Smiles:
NC(=O)C=CCCl| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 119.55 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
