Glycoside
GD016070
Name:
NoneFormula:
C27H25O6N2ClSSmiles:
CC(=O)C1=C(c2ccccc2)N(C2OC(CO)C(O)C(O)C2O)C(S)=C(C#N)C1c1ccc(Cl)cc1Aglycone:
CC(=O)C1=C(c2ccccc2)NC(S)=C(C#N)C1c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 529.01 | Num_heavy_atoms: | 36 |
| TPSA: | 134.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD11614
Formula: C21H15ON2ClS
Smiles:
CC(=O)C1=C(c2ccccc2)NC(S)=C(C#N)C1c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.87 | Num_heavy_atoms: | 25 |
| TPSA: | 52.89 | NumAromaticRings: | 2 |
