Glycoside
GD035059
Name:
NoneFormula:
C26H24O7FClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc(-c4ccc(F)cc4)s3)c(Cl)c3c2OCCO3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2ccc(Cc3ccc4c(c3Cl)OCCO4)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.98 | Num_heavy_atoms: | 35 |
| TPSA: | 108.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD22206
Formula: C20H14O2FClS
Smiles:
Fc1ccc(-c2ccc(Cc3ccc4c(c3Cl)OCCO4)s2)cc1| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.16 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.84 | Num_heavy_atoms: | 24 |
| TPSA: | 18.46 | NumAromaticRings: | 3 |
