Glycoside
GD011716
Name:
NoneFormula:
C17H19O5N2ClS2Smiles:
CSc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CSc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.92 | Num_heavy_atoms: | 26 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD08923
Formula: C11H9N2ClS2
Smiles:
CSc1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.78 | Num_heavy_atoms: | 15 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
