Glycoside
GD020040
Name:
NoneFormula:
C15H16O5NClSSmiles:
O=C1CS[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)N1c1cccc(Cl)c1Aglycone:
O=C1CSCN1c1cccc(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 345.8 | Num_heavy_atoms: | 22 |
| TPSA: | 90.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD13897
Formula: C10H8ONClS
Smiles:
O=C1CSCN1c1cccc(Cl)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.69 | Num_heavy_atoms: | 13 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
