Glycoside
GD090866
Name:
NoneFormula:
C19H25O8NSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)C1CC2(C1)OCCO2Aglycone:
O=C(Nc1ccc(S)cc1)C1CC2(C1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.48 | Num_heavy_atoms: | 29 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD39559
Formula: C13H15O3NS
Smiles:
O=C(Nc1ccc(S)cc1)C1CC2(C1)OCCO2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.33 | Num_heavy_atoms: | 18 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
