Glycoside
GD001145
Name:
NoneFormula:
C17H18O6N6SSmiles:
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1Aglycone:
Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.43 | Num_heavy_atoms: | 30 |
| TPSA: | 182.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD01195
Formula: C12H9O2N6S
Smiles:
Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.31 | Num_heavy_atoms: | 21 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
