Glycoside
GD006391
Name:
NoneFormula:
C20H22O5NClSSmiles:
C=CCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
C=CCc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.91 | Num_heavy_atoms: | 27 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD05296
Formula: C14H12NClS
Smiles:
C=CCc1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 249.77 | Num_heavy_atoms: | 16 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
