Glycoside
GD055455
Name:
NoneFormula:
C15H20O7N2Smiles:
O=C(Nc1cccn(CC2CC2)c1=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1cccn(CC2CC2)c1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 340.33 | Num_heavy_atoms: | 24 |
| TPSA: | 149.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD28048
Formula: C9H12ON2
Smiles:
Nc1cccn(CC2CC2)c1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
