Glycoside
GD098516
Name:
NoneFormula:
C18H23O9NS2Smiles:
CC(=O)O[C@H]1CO[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)S1Aglycone:
CC(=O)OC1COC(C(=O)Nc2ccc(S)cc2)S1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.51 | Num_heavy_atoms: | 30 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD41892
Formula: C12H13O4NS2
Smiles:
CC(=O)OC1COC(C(=O)Nc2ccc(S)cc2)S1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.37 | Num_heavy_atoms: | 19 |
| TPSA: | 64.63 | NumAromaticRings: | 1 |
