Glycoside
GD111532
Name:
NoneFormula:
C28H25O7N2ClSSmiles:
CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1Aglycone:
CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 557.02 | Num_heavy_atoms: | 38 |
| TPSA: | 145.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD05605
Formula: C22H15O2N2ClS
Smiles:
CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 5.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.88 | Num_heavy_atoms: | 27 |
| TPSA: | 65.88 | NumAromaticRings: | 3 |
