Glycoside
GD001030
Name:
NoneFormula:
C14H15O6N7SSmiles:
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.38 | Num_heavy_atoms: | 28 |
| TPSA: | 174.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD01071
Formula: C9H6O2N7S
Smiles:
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.26 | Num_heavy_atoms: | 19 |
| TPSA: | 113.2 | NumAromaticRings: | 2 |
