Glycoside
GD001479
Name:
NoneFormula:
C22H20O5N2Cl2SSmiles:
COc1ccc(CSc2nc3cc(Cl)c(Cl)cc3n2C2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.36 | Num_heavy_atoms: | 30 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD01479
Formula: C17H11ON2Cl2S
Smiles:
COc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.24 | Num_heavy_atoms: | 21 |
| TPSA: | 35.69 | NumAromaticRings: | 2 |
