Glycoside
GD105053
Name:
NoneFormula:
C21H18O11N2Smiles:
CC(=O)O[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1Aglycone:
COC(=O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
CC(=O)OC1COC(CO)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.38 | Num_heavy_atoms: | 34 |
| TPSA: | 174.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD04460
Formula: C7H5O4N
Smiles:
O=C(O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.12 | Num_heavy_atoms: | 12 |
| TPSA: | 80.44 | NumAromaticRings: | 1 |
AD16164
Formula: C8H7O4N
Smiles:
COC(=O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.15 | Num_heavy_atoms: | 13 |
| TPSA: | 69.44 | NumAromaticRings: | 1 |
