Glycoside
GD001971
Name:
NoneFormula:
C26H25O6NFClSSmiles:
C=CCOc1cc(Cl)c(Cc2ncc(-c3ccc(F)cc3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CCOc1ccc(Cc2ncc(-c3ccc(F)cc3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.99 | Num_heavy_atoms: | 35 |
| TPSA: | 112.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD01918
Formula: C20H15ONFClS
Smiles:
C=CCOc1ccc(Cc2ncc(-c3ccc(F)cc3)s2)c(Cl)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.85 | Num_heavy_atoms: | 24 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
