Glycoside
GD148749
Name:
{3,4,5-trihydroxy-6-[(4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methyl octadeca-9,12,15-trienoateFormula:
C29H42O9Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC1OC(Oc2coccc2=O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC.O=c1ccocc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 17 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 135.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD17906
Formula: C19H32O2
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 292.46 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD24873
Formula: C5H4O3
Smiles:
O=c1ccocc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
