Glycoside
GD111547
Name:
NoneFormula:
C26H23O6N2ClSSmiles:
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.99 | Num_heavy_atoms: | 35 |
| TPSA: | 128.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD06050
Formula: C20H13ON2ClS
Smiles:
COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=S)c2C#N)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.85 | Num_heavy_atoms: | 24 |
| TPSA: | 48.81 | NumAromaticRings: | 3 |
