Glycoside
GD083639
Name:
NoneFormula:
C13H13O6N2SBrSmiles:
O=C(Nc1ccc2scnc2c1Br)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ccc2scnc2c1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.23 | Num_heavy_atoms: | 23 |
| TPSA: | 139.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD37298
Formula: C7H5N2SBr
Smiles:
Nc1ccc2scnc2c1Br| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 229.1 | Num_heavy_atoms: | 11 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
