Glycoside
GD101143
Name:
NoneFormula:
C19H19O6N6ClSmiles:
COc1ccc(NC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1ClAglycone:
COc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.84 | Num_heavy_atoms: | 31 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD42752
Formula: C14H10O2N6Cl
Smiles:
COc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1Cl| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.72 | Num_heavy_atoms: | 22 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
