Glycoside
GD081644
Name:
NoneFormula:
C15H19O6N2BrSmiles:
Nc1ccc(Br)c2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2Aglycone:
Nc1ccc(Br)c2c1CNCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.23 | Num_heavy_atoms: | 24 |
| TPSA: | 144.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD36728
Formula: C9H11N2Br
Smiles:
Nc1ccc(Br)c2c1CNCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 227.1 | Num_heavy_atoms: | 12 |
| TPSA: | 38.05 | NumAromaticRings: | 1 |
