Glycoside
GD084200
Name:
NoneFormula:
C19H25O7NSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C1CC2(COC2)C1Aglycone:
O=C(Nc1ccc(S)cc1)C1CC2(COC2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.48 | Num_heavy_atoms: | 28 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD37584
Formula: C13H15O2NS
Smiles:
O=C(Nc1ccc(S)cc1)C1CC2(COC2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.33 | Num_heavy_atoms: | 17 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
