Glycoside
GD101801
Name:
NoneFormula:
C21H25O8NSSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(C2CC2)cc1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(C2CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD43107
Formula: C15H15O3NS
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(C2CC2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.36 | Num_heavy_atoms: | 20 |
| TPSA: | 66.4 | NumAromaticRings: | 2 |
