Glycoside
GD018104
Name:
NoneFormula:
C25H25O6N2ClSSmiles:
CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C1Aglycone:
CC1(C)CC(=O)c2c([nH]c(=S)c(C#N)c2-c2ccc(Cl)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.99 | Num_heavy_atoms: | 34 |
| TPSA: | 135.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD12828
Formula: C19H15ON2ClS
Smiles:
CC1(C)CC(=O)c2c([nH]c(=S)c(C#N)c2-c2ccc(Cl)cc2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 342.85 | Num_heavy_atoms: | 23 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
