Glycoside
GD100732
Name:
NoneFormula:
C18H18O7N4Cl2SSmiles:
Cc1c(Cl)ccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1ClAglycone:
Cc1c(Cl)ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.31 | Num_heavy_atoms: | 30 |
| TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD42540
Formula: C13H9O3N4Cl2S
Smiles:
Cc1c(Cl)ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1Cl| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.19 | Num_heavy_atoms: | 21 |
| TPSA: | 115.72 | NumAromaticRings: | 1 |
