Glycoside
GD031907
Name:
NoneFormula:
C14H18O5N8SSmiles:
Cn1cc(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cn1Aglycone:
CNS(=O)(=O)c1cnn(C)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.42 | Num_heavy_atoms: | 28 |
| TPSA: | 183.3 | 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 |
AD01492
Formula: C5H9O2N3S
Smiles:
CNS(=O)(=O)c1cnn(C)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.21 | Num_heavy_atoms: | 11 |
| TPSA: | 63.99 | NumAromaticRings: | 1 |
