Glycoside
GD036579
Name:
4-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-oneFormula:
C22H36O5Smiles:
CCOC1CC(O)(CCC2=C(C)C(=O)[C@H](O)[C@@H]3C(C)(C)CCC[C@]23C)CO1Aglycone:
CCC1=C(C)C(=O)C(O)C2C(C)(C)CCCC12CSugarmoiety:
CCOC1CC(O)(O)CO1Other Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.53 | Num_heavy_atoms: | 27 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01713
Formula: C16H26O2
Smiles:
CCC1=C(C)C(=O)C(O)C2C(C)(C)CCCC12C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.38 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
