Glycoside
GD096291
Name:
NoneFormula:
C18H22O8N2S2Smiles:
COc1ccc(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1Aglycone:
COc1ccc(S(=O)(=O)Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.51 | Num_heavy_atoms: | 30 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD40949
Formula: C12H12O3N2S2
Smiles:
COc1ccc(S(=O)(=O)Nc2ccc(S)cc2)cn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.37 | Num_heavy_atoms: | 19 |
| TPSA: | 68.29 | NumAromaticRings: | 2 |
