Glycoside
GD089094
Name:
NoneFormula:
C19H23O8NSSmiles:
Cc1nc(CC(=O)c2ccc(OC[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O)cs1Aglycone:
COc1ccc(C(=O)Cc2csc(C)n2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.46 | Num_heavy_atoms: | 29 |
| TPSA: | 149.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD38923
Formula: C13H13O3NS
Smiles:
COc1ccc(C(=O)Cc2csc(C)n2)c(O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.32 | Num_heavy_atoms: | 18 |
| TPSA: | 59.42 | NumAromaticRings: | 2 |
