Glycoside
GD084006
Name:
NoneFormula:
C17H20O5N6SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1cnn(Cc2cccs2)c1Aglycone:
NC(=O)C1=C(Nc2cnn(Cc3cccs3)c2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.45 | Num_heavy_atoms: | 29 |
| TPSA: | 160.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD37481
Formula: C12H11ON6S
Smiles:
NC(=O)C1=C(Nc2cnn(Cc3cccs3)c2)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.33 | Num_heavy_atoms: | 20 |
| TPSA: | 99.4 | NumAromaticRings: | 2 |
