Glycoside
GD006164
Name:
NoneFormula:
C22H17O4N2Cl3SSmiles:
OC[C@@H]1OC(n2c(SCc3ccc(Cl)cc3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.78 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD05123
Formula: C17H8N2Cl3S
Smiles:
Clc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.66 | Num_heavy_atoms: | 20 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
