Glycoside
GD031470
Name:
NoneFormula:
C16H18O10N2Smiles:
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC#N)[C@H]2O)c([N+](=O)[O-])c1Aglycone:
COC(=O)c1ccc(O)c([N+](=O)[O-])c1Sugarmoiety:
N#CCOC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 398.32 | Num_heavy_atoms: | 28 |
| TPSA: | 181.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD06805
Formula: C8H7O5N
Smiles:
COC(=O)c1ccc(O)c([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 197.15 | Num_heavy_atoms: | 14 |
| TPSA: | 89.67 | NumAromaticRings: | 1 |
