Glycoside
GD091897
Name:
NoneFormula:
C18H18O4N8SSmiles:
Cc1ccc(-n2nnnc2Sc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(-n2nnnc2Sc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 157.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD40087
Formula: C13H9N8S
Smiles:
Cc1ccc(-n2nnnc2Sc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.34 | Num_heavy_atoms: | 22 |
| TPSA: | 95.84 | NumAromaticRings: | 3 |
