Glycoside
GD016233
Name:
NoneFormula:
C21H19O5NFClS2Smiles:
OC[C@@H]1O[C@H](c2cc(Cc3ncc(-c4cccs4)s3)c(Cl)cc2F)[C@H](O)[C@H](O)[C@H]1OAglycone:
Fc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.96 | Num_heavy_atoms: | 30 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD11716
Formula: C15H9NFClS2
Smiles:
Fc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.82 | Num_heavy_atoms: | 19 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
