Glycoside
GD031038
Name:
NoneFormula:
C22H28O6Smiles:
C=C(C#Cc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)ccc1O)CCC=C(C)CAglycone:
C=C(C#Cc1cc(O)ccc1O)CCC=C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.46 | Num_heavy_atoms: | 28 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD20041
Formula: C16H18O2
Smiles:
C=C(C#Cc1cc(O)ccc1O)CCC=C(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.32 | Num_heavy_atoms: | 18 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
