Glycoside
GD078556
Name:
NoneFormula:
C16H18O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4nccn4C4CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2nccn2C2CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.43 | Num_heavy_atoms: | 27 |
| TPSA: | 131.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD36089
Formula: C11H9N6S
Smiles:
C1=Nc2c(ncnc2Sc2nccn2C2CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 257.3 | Num_heavy_atoms: | 18 |
| TPSA: | 70.06 | NumAromaticRings: | 2 |
