Glycoside
GD048489
Name:
NoneFormula:
C13H18O7N2Smiles:
Cn1ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1=OAglycone:
Cn1ccc(CN)cc1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 149.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD25892
Formula: C7H10ON2
Smiles:
Cn1ccc(CN)cc1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
