Glycoside
GD089058
Name:
NoneFormula:
C20H25O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3ccc(CC#N)cc3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#CCc1ccc(-c2cn(CCO)nn2)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 162.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD35229
Formula: C12H12ON4
Smiles:
N#CCc1ccc(-c2cn(CCO)nn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 74.73 | NumAromaticRings: | 2 |
