Glycoside
GD061178
Name:
NoneFormula:
C16H19O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ccc(-c3ccccc3)nn2)[C@@H](O)[C@@H]1OAglycone:
Nc1ccc(-c2ccccc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.34 | Num_heavy_atoms: | 24 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD30045
Formula: C10H9N3
Smiles:
Nc1ccc(-c2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.2 | Num_heavy_atoms: | 13 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
