Glycoside
GD036954
Name:
NoneFormula:
C29H32O9N11ClSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)S(=O)(=O)c2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
CN(CCO)S(=O)(=O)c1ccc(Cl)cc1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 734.15 | Num_heavy_atoms: | 50 |
| TPSA: | 285.23 | NumAromaticRings: | 5 |
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 |
AD23298
Formula: C10H12O3NClS
Smiles:
CN(CCO)S(=O)(=O)c1ccc(Cl)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 249.72 | Num_heavy_atoms: | 15 |
| TPSA: | 57.61 | NumAromaticRings: | 1 |
