Glycoside
GD102904
Name:
NoneFormula:
C20H22O4N7ClSSmiles:
CN(C)c1ccc(NC(=S)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CN(C)c1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 479.95 | Num_heavy_atoms: | 32 |
| TPSA: | 140.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD43561
Formula: C15H13N7ClS
Smiles:
CN(C)c1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.83 | Num_heavy_atoms: | 23 |
| TPSA: | 79.54 | NumAromaticRings: | 2 |
