Glycoside
GD035575
Name:
NoneFormula:
C20H26O5NSBrSmiles:
CC(C)(C)c1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nc2Br)cc1Aglycone:
CC(C)(C)c1ccc(Cc2scnc2Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.4 | Num_heavy_atoms: | 28 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD22502
Formula: C14H16NSBr
Smiles:
CC(C)(C)c1ccc(Cc2scnc2Br)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.26 | Num_heavy_atoms: | 17 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
