Glycoside
GD031482
Name:
NoneFormula:
C20H25O5SBrSmiles:
CCc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Br)c2C)cc1Aglycone:
CCc1ccc(Cc2scc(Br)c2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.39 | Num_heavy_atoms: | 27 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD20276
Formula: C14H15SBr
Smiles:
CCc1ccc(Cc2scc(Br)c2C)cc1| HBA: | 0 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.25 | Num_heavy_atoms: | 16 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
