Glycoside
GD050880
Name:
NoneFormula:
C13H15O6N3Smiles:
Cc1ncc(C#N)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Cc1ncc(C#N)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.28 | Num_heavy_atoms: | 22 |
| TPSA: | 163.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD26760
Formula: C7H7N3
Smiles:
Cc1ncc(C#N)cc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
