Glycoside
GD091354
Name:
NoneFormula:
C18H25O9NSSmiles:
O=C1CCC(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1Aglycone:
O=C1CCC(S(=O)(=O)Nc2ccc(O)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.46 | Num_heavy_atoms: | 29 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD39851
Formula: C12H15O4NS
Smiles:
O=C1CCC(S(=O)(=O)Nc2ccc(O)cc2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.32 | Num_heavy_atoms: | 18 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
