Glycoside
GD000449
Name:
NoneFormula:
C21H17O6N3Cl2SSmiles:
O=[N+]([O-])c1ccc(CSc2nc3cc(Cl)c(Cl)cc3n2C2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.33 | Num_heavy_atoms: | 31 |
| TPSA: | 130.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00499
Formula: C16H8O2N3Cl2S
Smiles:
O=[N+]([O-])c1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 353.21 | Num_heavy_atoms: | 22 |
| TPSA: | 69.6 | NumAromaticRings: | 2 |
