Glycoside
GD017404
Name:
NoneFormula:
C12H17O5N2Smiles:
CNC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
CNC(=O)c1ccc[nH+]c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.28 | Num_heavy_atoms: | 19 |
| TPSA: | 102.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12419
Formula: C7H9ON2
Smiles:
CNC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.16 | Num_heavy_atoms: | 10 |
| TPSA: | 43.24 | NumAromaticRings: | 1 |
