Glycoside
GD068394
Name:
NoneFormula:
C13H14O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4ncc[nH]4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2ncc[nH]2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.36 | Num_heavy_atoms: | 24 |
| TPSA: | 142.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD32397
Formula: C8H5N6S
Smiles:
C1=Nc2c(ncnc2Sc2ncc[nH]2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 217.24 | Num_heavy_atoms: | 15 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
