Glycoside
GD130584
Name:
4-(acetyloxy)-2-[(3,7-dimethyloct-6-en-1-yl)oxy]-5-hydroxyoxan-3-yl 2-methylbutanoateFormula:
C22H38O7Smiles:
CCC(C)C(=O)OC1C(OCCC(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: | 0.82 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 414.54 | 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 |
AD46175
Formula: C10H20O
Smiles:
CC(C)=CCCC(C)CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 156.27 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
