Glycoside
GD045572
Name:
NoneFormula:
C13H18O5N2Smiles:
CC(=O)Nc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)Nc1ccc(N)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 111.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD12785
Formula: C8H10ON2
Smiles:
CC(=O)Nc1ccc(N)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
