Glycoside
GD024108
Name:
NoneFormula:
C22H20O4N2Cl2SSmiles:
Cc1cccc(CSc2nc3cc(Cl)c(Cl)cc3n2C2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
Cc1cccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.36 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD16132
Formula: C17H11N2Cl2S
Smiles:
Cc1cccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.24 | Num_heavy_atoms: | 20 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
