Glycoside
GD031527
Name:
NoneFormula:
C15H16O4N4S2Smiles:
Nc1ncnc2c1c(Sc1cccs1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(Sc1cccs1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.45 | Num_heavy_atoms: | 25 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD20302
Formula: C10H7N4S2
Smiles:
Nc1ncnc2c1C(Sc1cccs1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.33 | Num_heavy_atoms: | 16 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
