Glycoside
GD021270
Name:
NoneFormula:
C25H26O4N2Cl2SSmiles:
CC(C)(C)c1ccc(CSc2nc3cc(Cl)c(Cl)cc3n2C2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 497.44 | Num_heavy_atoms: | 32 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD14571
Formula: C20H17N2Cl2S
Smiles:
CC(C)(C)c1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.28 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.32 | Num_heavy_atoms: | 23 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
