Glycoside
GD088223
Name:
NoneFormula:
C18H27O10NSSmiles:
CCOc1cc([C@@H](CS(C)(=O)=O)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)ccc1OCAglycone:
CCOc1cc(C(N)CS(C)(=O)=O)ccc1OCSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 449.48 | Num_heavy_atoms: | 30 |
| TPSA: | 179.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD38611
Formula: C12H19O4NS
Smiles:
CCOc1cc(C(N)CS(C)(=O)=O)ccc1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 273.35 | Num_heavy_atoms: | 18 |
| TPSA: | 78.62 | NumAromaticRings: | 1 |
