Glycoside
GD023088
Name:
NoneFormula:
C18H20O6N6SSmiles:
CNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.46 | Num_heavy_atoms: | 31 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD15571
Formula: C13H11O2N6S
Smiles:
CNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.34 | Num_heavy_atoms: | 22 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
