Glycoside
GD019980
Name:
NoneFormula:
C17H17O5N7SSmiles:
N#Cc1ccc(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
CNS(=O)(=O)c1ccc(C#N)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.43 | Num_heavy_atoms: | 30 |
| TPSA: | 189.27 | 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 |
AD13867
Formula: C8H8O2N2S
Smiles:
CNS(=O)(=O)c1ccc(C#N)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.23 | Num_heavy_atoms: | 13 |
| TPSA: | 69.96 | NumAromaticRings: | 1 |
