Glycoside
GD084027
Name:
NoneFormula:
C15H17O4N7S2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4nnc(NC5CC5)s4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2nnc(NC3CC3)s2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.48 | Num_heavy_atoms: | 28 |
| TPSA: | 151.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD37496
Formula: C10H8N7S2
Smiles:
C1=Nc2c(ncnc2Sc2nnc(NC3CC3)s2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.36 | Num_heavy_atoms: | 19 |
| TPSA: | 90.05 | NumAromaticRings: | 2 |
