Glycoside
GD012431
Name:
NoneFormula:
C27H23O6N2ClSSmiles:
CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1Aglycone:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 527.0 | Num_heavy_atoms: | 36 |
| TPSA: | 135.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD04684
Formula: C21H13ON2ClS
Smiles:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.86 | Num_heavy_atoms: | 25 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
