Glycoside
GD102710
Name:
NoneFormula:
C20H25O8NS2Smiles:
COc1cccc(CS(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)c1Aglycone:
COc1cccc(CS(=O)(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 471.55 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD43483
Formula: C14H15O3NS2
Smiles:
COc1cccc(CS(=O)(=O)Nc2ccc(S)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.41 | Num_heavy_atoms: | 20 |
| TPSA: | 55.4 | NumAromaticRings: | 2 |
