Glycoside
GD026229
Name:
NoneFormula:
C15H20O11NS2Smiles:
COc1ccc(C(=NOS(=O)(=O)[O-])S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(C(S)=NOS(=O)(=O)[O-])cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.46 | Num_heavy_atoms: | 29 |
| TPSA: | 187.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD17304
Formula: C9H10O6NS2
Smiles:
COc1ccc(C(S)=NOS(=O)(=O)[O-])cc1OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.31 | Num_heavy_atoms: | 18 |
| TPSA: | 97.25 | NumAromaticRings: | 1 |
