Glycoside
GD082143
Name:
NoneFormula:
C16H21O8NS2Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)C1CS(=O)(=O)C1Aglycone:
O=C(Nc1ccc(S)cc1)C1CS(=O)(=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.48 | Num_heavy_atoms: | 27 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD36884
Formula: C10H11O3NS2
Smiles:
O=C(Nc1ccc(S)cc1)C1CS(=O)(=O)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.34 | Num_heavy_atoms: | 16 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
