Glycoside
GD067376
Name:
NoneFormula:
C14H18O7NClSSmiles:
Cc1cc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1ClAglycone:
Cc1cc(S(N)(=O)=O)ccc1ClSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 367.81 | Num_heavy_atoms: | 23 |
| TPSA: | 144.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD30918
Formula: C8H8O2NClS
Smiles:
Cc1cc(S(N)(=O)=O)ccc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
