Glycoside
GD100948
Name:
NoneFormula:
C20H21O6N6ClSmiles:
COc1ccccc1CNC(=O)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COc1ccccc1CNC(=O)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.87 | Num_heavy_atoms: | 32 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD42662
Formula: C15H12O2N6Cl
Smiles:
COc1ccccc1CNC(=O)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.74 | Num_heavy_atoms: | 23 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
