Glycoside
GD029162
Name:
NoneFormula:
C16H15O8N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNS(=O)(=O)c1ccccc1[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.4 | Num_heavy_atoms: | 32 |
| TPSA: | 225.69 | 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 |
AD19005
Formula: C7H6O5N2S
Smiles:
O=CNS(=O)(=O)c1ccccc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 230.2 | Num_heavy_atoms: | 15 |
| TPSA: | 106.38 | NumAromaticRings: | 1 |
