Glycoside
GD102325
Name:
NoneFormula:
C19H18O7N5ClSmiles:
COc1ccc(OC(=O)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(OC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.82 | Num_heavy_atoms: | 31 |
| TPSA: | 161.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD43306
Formula: C14H9O3N5Cl
Smiles:
COc1ccc(OC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.7 | Num_heavy_atoms: | 22 |
| TPSA: | 99.8 | NumAromaticRings: | 2 |
