Glycoside
GD008217
Name:
NoneFormula:
C14H17O5NSSmiles:
O=C1CS[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)N1c1ccccc1Aglycone:
O=C1CSCN1c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.36 | Num_heavy_atoms: | 21 |
| TPSA: | 90.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD06587
Formula: C9H9ONS
Smiles:
O=C1CSCN1c1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.24 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
