Glycoside
GD053252
Name:
NoneFormula:
C13H17O4N5SSmiles:
CNc1ncnc2c1c(C(N)=S)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
CNc1ncnc2c1C(C(N)=S)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.38 | Num_heavy_atoms: | 23 |
| TPSA: | 138.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD27252
Formula: C8H8N5S
Smiles:
CNc1ncnc2c1C(C(N)=S)=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.25 | Num_heavy_atoms: | 14 |
| TPSA: | 77.93 | NumAromaticRings: | 1 |
