Glycoside
GD011452
Name:
NoneFormula:
C13H18O7N6SSmiles:
NCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)nccc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CN.Nc1nccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.39 | Num_heavy_atoms: | 27 |
| TPSA: | 204.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD01566
Formula: C6H5N4
Smiles:
Nc1nccc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.37 | NumAromaticRings: | 1 |
AD08757
Formula: C3H8O4N2S
Smiles:
COS(=O)(=O)NC(=O)CN| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.17 | Num_heavy_atoms: | 10 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
