Glycoside
GD125105
Name:
3,4,5-trihydroxyoxan-2-yl 2,6-dimethyloctanoateFormula:
C15H28O6Smiles:
CCC(C)CCCC(C)C(=O)OC1OCC(O)C(O)C1OAglycone:
CCC(C)CCCC(C)C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 304.38 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50592
Formula: C10H20O2
Smiles:
CCC(C)CCCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
