Glycoside
GD061878
Name:
NoneFormula:
C16H25O5NSSmiles:
Cc1ccc(SC[C@@H](C)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
Cc1ccc(SCC(C)N)cc1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 343.45 | Num_heavy_atoms: | 23 |
| TPSA: | 110.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD29431
Formula: C10H15NS
Smiles:
Cc1ccc(SCC(C)N)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.3 | Num_heavy_atoms: | 12 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
