Glycoside
GD033920
Name:
NoneFormula:
C19H18O5N5ClSSmiles:
Nc1nc(SCC(=O)c2ccc(Cl)cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1Aglycone:
Nc1nc2c(c(SCC(=O)c3ccc(Cl)cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.89 | Num_heavy_atoms: | 30 |
| TPSA: | 156.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD21621
Formula: C14H9ON5ClS
Smiles:
Nc1nc2c(c(SCC(=O)c3ccc(Cl)cc3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.77 | Num_heavy_atoms: | 21 |
| TPSA: | 95.33 | NumAromaticRings: | 2 |
