Glycoside
GD080905
Name:
NoneFormula:
C16H23O8NS2Smiles:
CS(=O)(=O)CCC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
CS(=O)(=O)CCC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.49 | Num_heavy_atoms: | 27 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD36525
Formula: C10H13O3NS2
Smiles:
CS(=O)(=O)CCC(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.35 | Num_heavy_atoms: | 16 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
