Glycoside
GD100744
Name:
NoneFormula:
C22H24O7N4SSmiles:
Cc1ccc(-c2ccc(S(=O)(=O)Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1Aglycone:
Cc1ccc(-c2ccc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.52 | Num_heavy_atoms: | 34 |
| TPSA: | 177.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD42546
Formula: C17H15O3N4S
Smiles:
Cc1ccc(-c2ccc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)cc2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.4 | Num_heavy_atoms: | 25 |
| TPSA: | 115.72 | NumAromaticRings: | 2 |
