Glycoside
GD021225
Name:
NoneFormula:
C25H27O7ClSmiles:
C#CCOCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
C#CCOCCOc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.93 | Num_heavy_atoms: | 32 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD14541
Formula: C19H17O2Cl
Smiles:
C#CCOCCOc1ccc(Cc2ccccc2Cl)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 300.78 | Num_heavy_atoms: | 21 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
