Glycoside
GD012675
Name:
NoneFormula:
C16H17O8N3SSmiles:
O=C(c1ccc([N+](=O)[O-])cc1)c1cnc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1Aglycone:
Nc1ncc(C(=O)c2ccc([N+](=O)[O-])cc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.39 | Num_heavy_atoms: | 28 |
| TPSA: | 175.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD09535
Formula: C10H7O3N3S
Smiles:
Nc1ncc(C(=O)c2ccc([N+](=O)[O-])cc2)s1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.25 | Num_heavy_atoms: | 17 |
| TPSA: | 99.12 | NumAromaticRings: | 2 |
