Glycoside
GD104892
Name:
NoneFormula:
C23H22O6N2SSmiles:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.5 | Num_heavy_atoms: | 32 |
| TPSA: | 132.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD02835
Formula: C17H12ON2S
Smiles:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 292.36 | Num_heavy_atoms: | 21 |
| TPSA: | 52.72 | NumAromaticRings: | 3 |
