Glycoside
GD052057
Name:
NoneFormula:
C13H18O7N2Smiles:
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Cc1ccc([N+](=O)[O-])cc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 145.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD02067
Formula: C7H8O2N2
Smiles:
Cc1ccc([N+](=O)[O-])cc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 69.16 | NumAromaticRings: | 1 |
