Glycoside
GD102459
Name:
NoneFormula:
C19H17O5N6ClSSmiles:
O=C(NC(=S)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1Aglycone:
O=C(NC(=S)Nc1nc(Cl)nc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.89 | Num_heavy_atoms: | 31 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD43369
Formula: C14H8ON6ClS
Smiles:
O=C(NC(=S)Nc1nc(Cl)nc2c1N=C[N]2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.77 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
