Glycoside
GD074944
Name:
NoneFormula:
C15H21O9NSSmiles:
COc1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1S(C)(=O)=OAglycone:
COc1ccc(C(N)=O)cc1S(C)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.4 | Num_heavy_atoms: | 26 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD34673
Formula: C9H11O4NS
Smiles:
COc1ccc(C(N)=O)cc1S(C)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 229.26 | Num_heavy_atoms: | 15 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
