Glycoside
GD045483
Name:
2-[(4-aminophenyl)sulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C12H17O5NSSmiles:
Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.34 | Num_heavy_atoms: | 19 |
| TPSA: | 116.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD14447
Formula: C6H7NS
Smiles:
Nc1ccc(S)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.2 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
