Glycoside
GD011980
Name:
NoneFormula:
C18H22O5NSBrSmiles:
CCc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nc2Br)cc1Aglycone:
CCc1ccc(Cc2scnc2Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.35 | Num_heavy_atoms: | 26 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD09067
Formula: C12H12NSBr
Smiles:
CCc1ccc(Cc2scnc2Br)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.21 | Num_heavy_atoms: | 15 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
