Glycoside
GD100777
Name:
NoneFormula:
C19H20O6N5ClSSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NS(=O)(=O)c3c(C)cccc3Cl)ncnc21Aglycone:
Cc1cccc(Cl)c1S(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.91 | Num_heavy_atoms: | 31 |
| TPSA: | 148.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42568
Formula: C13H9O2N5ClS
Smiles:
Cc1cccc(Cl)c1S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.76 | Num_heavy_atoms: | 21 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
