Glycoside
GD014510
Name:
NoneFormula:
C21H22O10N2Smiles:
O=C(CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1Aglycone:
NCC(=O)Oc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 188.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD10657
Formula: C15H12O5N2
Smiles:
NCC(=O)Oc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 112.53 | NumAromaticRings: | 2 |
