Glycoside
GD127016
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadeca-7,10,13-trienoateFormula:
C31H52O14Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 20 |
| MolWt: | 648.74 | Num_heavy_atoms: | 45 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD43976
Formula: C19H32O4
Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 14 |
| MolWt: | 324.46 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
