Glycoside
GD073355
Name:
NoneFormula:
C12H16O6N3BrSmiles:
Cc1nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc(C)c1BrAglycone:
Cc1nc(N)nc(C)c1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.18 | Num_heavy_atoms: | 22 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD34024
Formula: C6H8N3Br
Smiles:
Cc1nc(N)nc(C)c1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.06 | Num_heavy_atoms: | 10 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
