Glycoside
GD001565
Name:
NoneFormula:
C17H17O9N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2[N+](=O)[O-])[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccccc1[N+](=O)[O-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.43 | Num_heavy_atoms: | 34 |
| TPSA: | 234.92 | 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 |
AD01559
Formula: C8H8O6N2S
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1[N+](=O)[O-]| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.23 | Num_heavy_atoms: | 17 |
| TPSA: | 115.61 | NumAromaticRings: | 1 |
