Glycoside
GD016093
Name:
NoneFormula:
C16H20O5N6S2Smiles:
Cc1cc(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c(C)s1Aglycone:
CNS(=O)(=O)c1cc(C)sc1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.51 | Num_heavy_atoms: | 29 |
| TPSA: | 165.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03906
Formula: C7H11O2NS2
Smiles:
CNS(=O)(=O)c1cc(C)sc1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.3 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
