Glycoside
GD073434
Name:
NoneFormula:
C13H14O6N3BrSmiles:
O=C(Nc1cn2cc(Br)ccc2n1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1cn2cc(Br)ccc2n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.17 | Num_heavy_atoms: | 23 |
| TPSA: | 144.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD34046
Formula: C7H6N3Br
Smiles:
Nc1cn2cc(Br)ccc2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.05 | Num_heavy_atoms: | 11 |
| TPSA: | 43.32 | NumAromaticRings: | 2 |
