Glycoside
GD030049
Name:
NoneFormula:
C15H18O5N6S2Smiles:
Cc1ccc(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)s1Aglycone:
CNS(=O)(=O)c1ccc(C)s1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.48 | Num_heavy_atoms: | 28 |
| 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 |
AD17070
Formula: C6H9O2NS2
Smiles:
CNS(=O)(=O)c1ccc(C)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.28 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
