Glycoside
GD093289
Name:
NoneFormula:
C20H18O10N2Smiles:
CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1Aglycone:
O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
COC1CC(O)C(O)CO1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.37 | Num_heavy_atoms: | 32 |
| TPSA: | 157.34 | 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 |
