Glycoside
GD027318
Name:
NoneFormula:
C8H11O4NS2Smiles:
OC[C@@H]1O[C@H](Sc2nccs2)[C@H](O)[C@H]1OAglycone:
Sc1nccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.31 | Num_heavy_atoms: | 15 |
| TPSA: | 82.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD17962
Formula: C3H3NS2
Smiles:
Sc1nccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.2 | Num_heavy_atoms: | 6 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
