Glycoside
GD142543
Name:
4-(acetyloxy)-2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-5-hydroxyoxan-3-yl 2-methylbutanoateFormula:
C22H36O7Smiles:
CCC(C)C(=O)OC1C(OCC=C(C)CCC=C(C)C)OCC(O)C1OC(C)=OAglycone:
CC(C)=CCCC(C)=CCO.CCC(C)C(=O)OSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD04659
Formula: C10H18O
Smiles:
CC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
