Glycoside
GD029318
Name:
NoneFormula:
C18H17O7N6ClSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2Cl)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccccc1Cl.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.88 | Num_heavy_atoms: | 32 |
| TPSA: | 191.78 | 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 |
AD19082
Formula: C9H8O4NClS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.68 | Num_heavy_atoms: | 15 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
