Glycoside
GD100686
Name:
NoneFormula:
C19H20O6N5ClSSmiles:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.91 | Num_heavy_atoms: | 31 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42509
Formula: C14H11O2N5ClS
Smiles:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.78 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
