Glycoside
GD035262
Name:
NoneFormula:
C18H19O6N3Smiles:
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1C#Cc1ccccc1Aglycone:
Nc1nc(=O)[nH]cc1C#Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 373.37 | Num_heavy_atoms: | 27 |
| TPSA: | 151.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00028
Formula: C12H9ON3
Smiles:
Nc1nc(=O)[nH]cc1C#Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 211.22 | Num_heavy_atoms: | 16 |
| TPSA: | 71.77 | NumAromaticRings: | 2 |
