Glycoside
GD016635
Name:
NoneFormula:
C9H12O5N3BrSmiles:
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1BrAglycone:
Nc1nc(=O)[nH]cc1BrSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.12 | Num_heavy_atoms: | 18 |
| TPSA: | 130.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD11954
Formula: C4H4ON3Br
Smiles:
Nc1nc(=O)[nH]cc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.0 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
