Glycoside
GD092362
Name:
NoneFormula:
C21H22O5N6Smiles:
C#CC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
C#CC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 159.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD40297
Formula: C16H13ON6
Smiles:
C#CC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.32 | Num_heavy_atoms: | 23 |
| TPSA: | 98.57 | NumAromaticRings: | 2 |
