Glycoside
GD008422
Name:
NoneFormula:
C24H33O12N4ClSSmiles:
CCS(=O)(=O)N(Cc1cn([C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1)c1ccc(Cl)cc1Aglycone:
CCS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 625.05 | Num_heavy_atoms: | 41 |
| TPSA: | 237.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD06726
Formula: C12H12O2N4ClS
Smiles:
CCS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(Cl)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 299.76 | Num_heavy_atoms: | 19 |
| TPSA: | 76.2 | NumAromaticRings: | 1 |
