Glycoside
GD001820
Name:
NoneFormula:
C11H15O5N5SSmiles:
CS(=O)(=O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CS(C)(=O)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.34 | Num_heavy_atoms: | 22 |
| TPSA: | 153.45 | NumAromaticRings: | 2 |
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 |
AD00116
Formula: C2H6O2S
Smiles:
CS(C)(=O)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.13 | Num_heavy_atoms: | 5 |
| TPSA: | 34.14 | NumAromaticRings: | 0 |
