Glycoside
GD081120
Name:
NoneFormula:
C17H25O9NSSmiles:
O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)C1CCOCC1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)C1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.45 | Num_heavy_atoms: | 28 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD36578
Formula: C11H15O4NS
Smiles:
O=S(=O)(Nc1ccc(O)cc1)C1CCOCC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 257.31 | Num_heavy_atoms: | 17 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
