Glycoside
GD100720
Name:
NoneFormula:
C20H19O8N4ClSSmiles:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.9 | Num_heavy_atoms: | 33 |
| TPSA: | 173.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD42532
Formula: C15H10O4N4ClS
Smiles:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.78 | Num_heavy_atoms: | 24 |
| TPSA: | 112.35 | NumAromaticRings: | 2 |
