Glycoside
GD033972
Name:
NoneFormula:
C13H17O6N7SSmiles:
CN1N=C(N)c2nn(C3O[C@H](CO)[C@H](O)[C@H]3O)c3nc(S(C)(=O)=O)nc1c23Aglycone:
CN1N=C(N)C2=N[N]c3nc(S(C)(=O)=O)nc1c32Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 399.39 | Num_heavy_atoms: | 27 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD21644
Formula: C8H8O2N7S
Smiles:
CN1N=C(N)C2=N[N]c3nc(S(C)(=O)=O)nc1c32| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.27 | Num_heavy_atoms: | 18 |
| TPSA: | 128.0 | NumAromaticRings: | 1 |
