Glycoside
GD028173
Name:
NoneFormula:
C21H25O9NSSmiles:
CC(=O)N[C@@H]1[C@H](Oc2ccccc2-c2cccc(OS(C)(=O)=O)c2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)Oc1cccc(-c2ccccc2O)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.5 | Num_heavy_atoms: | 32 |
| TPSA: | 151.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD18444
Formula: C13H12O4S
Smiles:
CS(=O)(=O)Oc1cccc(-c2ccccc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.3 | Num_heavy_atoms: | 18 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
