Glycoside
GD100733
Name:
NoneFormula:
C19H17O6N5Cl2SSmiles:
Cc1c(Cl)ccc(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1ClAglycone:
Cc1c(Cl)ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.33 | Num_heavy_atoms: | 31 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42541
Formula: C14H8O2N5Cl2S
Smiles:
Cc1c(Cl)ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.2 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
