Glycoside
GD010288
Name:
NoneFormula:
C18H18O6N4SSmiles:
O=[N+]([O-])c1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.43 | Num_heavy_atoms: | 29 |
| TPSA: | 143.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD07973
Formula: C13H9O2N4S
Smiles:
O=[N+]([O-])c1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.31 | Num_heavy_atoms: | 20 |
| TPSA: | 83.02 | NumAromaticRings: | 2 |
