Glycoside
GD061797
Name:
NoneFormula:
C17H19O5N3Smiles:
N#CCc1cc2ccccc2nc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#CCc1cc2ccccc2nc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.36 | Num_heavy_atoms: | 25 |
| TPSA: | 138.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD30223
Formula: C11H9N3
Smiles:
N#CCc1cc2ccccc2nc1N| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.21 | Num_heavy_atoms: | 14 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
