Glycoside
GD049037
Name:
NoneFormula:
C12H17O7N3Smiles:
CC(=O)c1nn(C)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
CC(=O)c1nn(C)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 161.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD26024
Formula: C6H9ON3
Smiles:
CC(=O)c1nn(C)cc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
