Glycoside
GD019266
Name:
NoneFormula:
C13H16O8N2SSmiles:
O=[N+]([O-])c1ccc(C(=NO)S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(C(S)=NO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.34 | Num_heavy_atoms: | 24 |
| TPSA: | 165.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD13473
Formula: C7H6O3N2S
Smiles:
O=[N+]([O-])c1ccc(C(S)=NO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.2 | Num_heavy_atoms: | 13 |
| TPSA: | 75.73 | NumAromaticRings: | 1 |
