Glycoside
GD158024
Name:
2,3-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})propyl octadeca-9,12,15-trienoateFormula:
C33H56O14Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 22 |
| MolWt: | 676.8 | Num_heavy_atoms: | 47 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD12141
Formula: C21H36O4
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 16 |
| MolWt: | 352.52 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
