Glycoside
GD082657
Name:
NoneFormula:
C13H16O9NClS2Smiles:
COC(=O)c1sc(Cl)cc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
COC(=O)c1sc(Cl)cc1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 417.85 | Num_heavy_atoms: | 25 |
| TPSA: | 170.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD36303
Formula: C7H6O4NClS2
Smiles:
COC(=O)c1sc(Cl)cc1S(N)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.7 | Num_heavy_atoms: | 14 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
