Glycoside
GD013642
Name:
NoneFormula:
C26H24O11N6SSmiles:
COc1cc(C=C[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=C[N+](=O)[O-])cc2OC)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.58 | Num_heavy_atoms: | 44 |
| TPSA: | 241.35 | NumAromaticRings: | 4 |
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 |
AD10147
Formula: C17H15O8NS
Smiles:
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=C[N+](=O)[O-])cc2OC)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 393.37 | Num_heavy_atoms: | 27 |
| TPSA: | 122.04 | NumAromaticRings: | 2 |
