Glycoside
GD102645
Name:
NoneFormula:
C20H20O6N5FSSmiles:
COC(=O)c1ccc(NC(=S)Nc2ncnc3c2c(F)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(NC(=S)Nc2ncnc3c2C(F)=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 477.47 | Num_heavy_atoms: | 33 |
| TPSA: | 150.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD43455
Formula: C15H11O2N5FS
Smiles:
COC(=O)c1ccc(NC(=S)Nc2ncnc3c2C(F)=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.35 | Num_heavy_atoms: | 24 |
| TPSA: | 90.24 | NumAromaticRings: | 2 |
