Glycoside
GD035964
Name:
NoneFormula:
C21H25O8NSSmiles:
CC(=O)N[C@@H]1[C@H](Oc2ccccc2-c2cccc(S(C)(=O)=O)c2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)c1cccc(-c2ccccc2O)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 142.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD22727
Formula: C13H12O3S
Smiles:
CS(=O)(=O)c1cccc(-c2ccccc2O)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.3 | Num_heavy_atoms: | 17 |
| TPSA: | 54.37 | NumAromaticRings: | 2 |
