Glycoside
GD006698
Name:
NoneFormula:
C14H16O6N8SSmiles:
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.4 | Num_heavy_atoms: | 29 |
| TPSA: | 200.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD05511
Formula: C9H7O2N8S
Smiles:
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1N=C[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.28 | Num_heavy_atoms: | 20 |
| TPSA: | 139.22 | NumAromaticRings: | 2 |
