Glycoside
GD083589
Name:
NoneFormula:
C16H17O6N2BrSmiles:
O=C(NCc1ccc2ncc(Br)cc2c1)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
NCc1ccc2ncc(Br)cc2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.22 | Num_heavy_atoms: | 25 |
| TPSA: | 139.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD37286
Formula: C10H9N2Br
Smiles:
NCc1ccc2ncc(Br)cc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.1 | Num_heavy_atoms: | 13 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
