Glycoside
GD001931
Name:
NoneFormula:
C19H20O6N4SSmiles:
COC(=O)c1ccc(SCc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(SCc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.46 | Num_heavy_atoms: | 30 |
| TPSA: | 139.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD01877
Formula: C14H11O2N4S
Smiles:
COC(=O)c1ccc(SCc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.33 | Num_heavy_atoms: | 21 |
| TPSA: | 78.54 | NumAromaticRings: | 2 |
