Glycoside
GD001016
Name:
NoneFormula:
C24H25O6FSSmiles:
Cc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(-c2ccc(F)cc2)s1Aglycone:
Cc1cccc(O)c1Cc1ccc(-c2ccc(F)cc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.52 | Num_heavy_atoms: | 32 |
| TPSA: | 99.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD01057
Formula: C18H15OFS
Smiles:
Cc1cccc(O)c1Cc1ccc(-c2ccc(F)cc2)s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.38 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 3 |
