Glycoside
GD032639
Name:
NoneFormula:
C22H21O6N2ClSSmiles:
CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1CAglycone:
CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.93 | Num_heavy_atoms: | 31 |
| TPSA: | 135.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD00485
Formula: C16H11ON2ClS
Smiles:
CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.79 | Num_heavy_atoms: | 20 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
