Glycoside
GD066320
Name:
NoneFormula:
C14H15O8NSSmiles:
O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1ccc2c(c1)S(=O)(=O)C=C2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.34 | Num_heavy_atoms: | 24 |
| TPSA: | 161.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD31787
Formula: C8H7O2NS
Smiles:
Nc1ccc2c(c1)S(=O)(=O)C=C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 181.22 | Num_heavy_atoms: | 12 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
