Glycoside
GD013123
Name:
NoneFormula:
C24H27O10N3Smiles:
COc1ccc(NC(=O)Nc2cccc(C=CC(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)c([N+](=O)[O-])c1Aglycone:
COc1ccc(NC(=O)Nc2cccc(C=CC(C)=O)c2)c([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.49 | Num_heavy_atoms: | 37 |
| TPSA: | 200.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD01124
Formula: C18H17O5N3
Smiles:
COc1ccc(NC(=O)Nc2cccc(C=CC(C)=O)c2)c([N+](=O)[O-])c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.35 | Num_heavy_atoms: | 26 |
| TPSA: | 110.57 | NumAromaticRings: | 2 |
