Glycoside
GD101004
Name:
NoneFormula:
C18H19O5N6FSSmiles:
CSc1ccccc1NC(=O)Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CSc1ccccc1NC(=O)Nc1nc(F)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.45 | Num_heavy_atoms: | 31 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD42694
Formula: C13H10ON6FS
Smiles:
CSc1ccccc1NC(=O)Nc1nc(F)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.33 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
