Glycoside
GD001171
Name:
NoneFormula:
C12H15O6N3Smiles:
NC(=O)c1ncn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1C#CCOAglycone:
NC(=O)C1=C(C#CCO)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 297.27 | Num_heavy_atoms: | 21 |
| TPSA: | 151.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD01220
Formula: C7H6O2N3
Smiles:
NC(=O)C1=C(C#CCO)[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.14 | Num_heavy_atoms: | 12 |
| TPSA: | 89.78 | NumAromaticRings: | 0 |
