Glycoside
GD029027
Name:
NoneFormula:
C13H18O8N6SSmiles:
C[C@H](O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.39 | Num_heavy_atoms: | 28 |
| TPSA: | 212.01 | 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 |
AD18918
Formula: C4H9O5NS
Smiles:
COS(=O)(=O)NC(=O)C(C)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.19 | Num_heavy_atoms: | 11 |
| TPSA: | 92.7 | NumAromaticRings: | 0 |
