Glycoside
GD081537
Name:
NoneFormula:
C19H21O8NSSmiles:
O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCc1ccc(S(=O)(=O)c2ccccc2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.44 | Num_heavy_atoms: | 29 |
| TPSA: | 161.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD36695
Formula: C13H13O2NS
Smiles:
NCc1ccc(S(=O)(=O)c2ccccc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.32 | Num_heavy_atoms: | 17 |
| TPSA: | 60.16 | NumAromaticRings: | 2 |
