Glycoside
GD100866
Name:
NoneFormula:
C16H16O6N5ClS2Smiles:
Cc1nc(Cl)sc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1nc(Cl)sc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.91 | Num_heavy_atoms: | 29 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42616
Formula: C11H7O2N5ClS2
Smiles:
Cc1nc(Cl)sc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.79 | Num_heavy_atoms: | 20 |
| TPSA: | 98.94 | NumAromaticRings: | 2 |
