Glycoside
GD026183
Name:
NoneFormula:
C12H16O7N6SSmiles:
CC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(C)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.36 | Num_heavy_atoms: | 26 |
| TPSA: | 191.78 | 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 |
AD17278
Formula: C3H7O4NS
Smiles:
COS(=O)(=O)NC(C)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.16 | Num_heavy_atoms: | 9 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
