Glycoside
GD010717
Name:
NoneFormula:
C11H15O4N3SSmiles:
Cc1nc(-c2nc([C@H](O)[C@H](O)[C@H](O)CO)c[nH]2)cs1Aglycone:
Cc1nc(-c2ncc[nH]2)cs1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 285.32 | Num_heavy_atoms: | 19 |
| TPSA: | 122.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD08236
Formula: C7H7N3S
Smiles:
Cc1nc(-c2ncc[nH]2)cs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.22 | Num_heavy_atoms: | 11 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
