Glycoside
GD017679
Name:
NoneFormula:
C22H22O6NClS2Smiles:
COc1cc(Cl)c(Cc2ncc(-c3ccsc3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.0 | Num_heavy_atoms: | 31 |
| TPSA: | 112.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD12596
Formula: C16H12ONClS2
Smiles:
COc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 321.85 | Num_heavy_atoms: | 20 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
