Glycoside
GD086118
Name:
NoneFormula:
C20H22O6N2SSmiles:
COc1ccc(-c2cc(C)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2cc(C)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.47 | Num_heavy_atoms: | 29 |
| TPSA: | 128.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD38262
Formula: C14H12ON2S
Smiles:
COc1ccc(-c2cc(C)[nH]c(=S)c2C#N)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.33 | Num_heavy_atoms: | 18 |
| TPSA: | 48.81 | NumAromaticRings: | 2 |
