Glycoside
GD091079
Name:
NoneFormula:
C20H21O5N6ClSmiles:
NC(=O)[C@@H](Cc1ccc(Cl)cc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
NC(=O)C(Cc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.87 | Num_heavy_atoms: | 31 |
| TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD39693
Formula: C15H12ON6Cl
Smiles:
NC(=O)C(Cc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.74 | Num_heavy_atoms: | 22 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
