Glycoside
GD021411
Name:
NoneFormula:
C26H27O6ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(OCC#CC4CC4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(OCC#CC2CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.94 | Num_heavy_atoms: | 32 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD14645
Formula: C20H17OCl
Smiles:
Clc1ccccc1Cc1ccc(OCC#CC2CC2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.8 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
