Glycoside
GD061827
Name:
NoneFormula:
C15H15O6N3Smiles:
Cc1cc(-c2noc(C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n2)ccc1C#NAglycone:
Cc1cc(-c2ncon2)ccc1C#NSugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.3 | Num_heavy_atoms: | 24 |
| TPSA: | 160.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD30233
Formula: C10H7ON3
Smiles:
Cc1cc(-c2ncon2)ccc1C#N| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.19 | Num_heavy_atoms: | 14 |
| TPSA: | 62.71 | NumAromaticRings: | 2 |
