Glycoside
GD098665
Name:
NoneFormula:
C16H16O6N4ClBrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(Br)nn1-c1ncccc1ClAglycone:
NC(=O)c1cc(Br)nn1-c1ncccc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 463.67 | Num_heavy_atoms: | 27 |
| TPSA: | 149.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD41966
Formula: C10H6ON4ClBr
Smiles:
NC(=O)c1cc(Br)nn1-c1ncccc1Cl| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 301.53 | Num_heavy_atoms: | 16 |
| TPSA: | 73.8 | NumAromaticRings: | 2 |
