Glycoside
GD103895
Name:
NoneFormula:
C19H16O4N7ClSSmiles:
N#Cc1cccc(NC(=S)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
N#Cc1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.89 | Num_heavy_atoms: | 31 |
| TPSA: | 161.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD43926
Formula: C14H7N7ClS
Smiles:
N#Cc1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.77 | Num_heavy_atoms: | 22 |
| TPSA: | 100.09 | NumAromaticRings: | 2 |
