Glycoside
GD061578
Name:
NoneFormula:
C13H16O8N2Smiles:
C[C@@H]1O[C@H](Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Nc1cc(C(=O)O)cc([N+](=O)[O-])c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.28 | Num_heavy_atoms: | 23 |
| TPSA: | 162.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD27088
Formula: C7H6O4N2
Smiles:
Nc1cc(C(=O)O)cc([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.13 | Num_heavy_atoms: | 13 |
| TPSA: | 106.46 | NumAromaticRings: | 1 |
