Glycoside
GD001027
Name:
NoneFormula:
C18H17O8N6ClSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(Cl)c2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1cccc(Cl)c1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.88 | Num_heavy_atoms: | 33 |
| TPSA: | 212.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01068
Formula: C9H8O5NClS
Smiles:
COS(=O)(=O)NC(=O)c1cccc(Cl)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.67 | Num_heavy_atoms: | 16 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
