Glycoside
GD091835
Name:
NoneFormula:
C21H25O5N4ClSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)[C@@H](O)[C@@H]1OAglycone:
Nc1nc(Cl)nc2c1CCN(Cc1ccccc1)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.9 | Num_heavy_atoms: | 30 |
| TPSA: | 131.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD40048
Formula: C15H15N4Cl
Smiles:
Nc1nc(Cl)nc2c1CCN(Cc1ccccc1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.75 | Num_heavy_atoms: | 19 |
| TPSA: | 55.04 | NumAromaticRings: | 2 |
