Glycoside
GD090317
Name:
NoneFormula:
C12H14O6N2Br2Smiles:
Cc1nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(Br)cc1BrAglycone:
Cc1nc(N)c(Br)cc1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.06 | Num_heavy_atoms: | 22 |
| TPSA: | 139.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD39318
Formula: C6H6N2Br2
Smiles:
Cc1nc(N)c(Br)cc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 265.94 | Num_heavy_atoms: | 10 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
