Glycoside
GD026207
Name:
NoneFormula:
C21H18O4N2Cl2SSmiles:
OC[C@@H]1OC(n2c(SCc3ccccc3)nc3c(Cl)cc(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc(Cl)c2c(c1)[N]C(SCc1ccccc1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.34 | Num_heavy_atoms: | 28 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD17293
Formula: C16H9N2Cl2S
Smiles:
Clc1cc(Cl)c2c(c1)[N]C(SCc1ccccc1)=N2| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.21 | Num_heavy_atoms: | 19 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
