Glycoside
GD045028
Name:
NoneFormula:
C11H13O7N3Smiles:
Cc1noc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1C#NAglycone:
Cc1noc(N)c1C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 299.24 | Num_heavy_atoms: | 21 |
| TPSA: | 176.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD25163
Formula: C5H5ON3
Smiles:
Cc1noc(N)c1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 123.12 | Num_heavy_atoms: | 9 |
| TPSA: | 75.84 | NumAromaticRings: | 1 |
