Glycoside
GD100843
Name:
NoneFormula:
C19H21O8N2ClS2Smiles:
COc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.96 | Num_heavy_atoms: | 31 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD42604
Formula: C13H11O3N2ClS2
Smiles:
COc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.82 | Num_heavy_atoms: | 20 |
| TPSA: | 68.29 | NumAromaticRings: | 2 |
