Glycoside
GD083223
Name:
NoneFormula:
C16H19O8NS2Smiles:
O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccsc1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccsc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.46 | Num_heavy_atoms: | 27 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD37161
Formula: C10H9O3NS2
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccsc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.32 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 2 |
