Glycoside
GD085840
Name:
NoneFormula:
C17H17O6N5SSmiles:
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CSc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.42 | Num_heavy_atoms: | 29 |
| TPSA: | 156.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD02589
Formula: C12H8O2N5S
Smiles:
O=[N+]([O-])c1ccc(CSc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.3 | Num_heavy_atoms: | 20 |
| TPSA: | 95.38 | NumAromaticRings: | 2 |
