Glycoside
GD098766
Name:
NoneFormula:
C19H22O8N2S2Smiles:
CS(=O)(=O)c1cncc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)c1Aglycone:
CS(=O)(=O)c1cncc(C(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.53 | Num_heavy_atoms: | 31 |
| TPSA: | 166.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD42016
Formula: C13H12O3N2S2
Smiles:
CS(=O)(=O)c1cncc(C(=O)Nc2ccc(S)cc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.38 | Num_heavy_atoms: | 20 |
| TPSA: | 76.13 | NumAromaticRings: | 2 |
