Glycoside
GD025660
Name:
NoneFormula:
C20H25O5N5SSmiles:
COc1ccc(CCNc2nc(SC)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CCNc2nc(SC)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.52 | Num_heavy_atoms: | 31 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD16992
Formula: C15H16ON5S
Smiles:
COc1ccc(CCNc2nc(SC)nc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 314.39 | Num_heavy_atoms: | 22 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
