Glycoside
GD157606
Name:
1-{[5-hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(octadeca-9,12-dienoyloxy)propan-2-yl octadeca-9,12,15-trienoateFormula:
C45H76O11Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(OO)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 9.16 | Num_rotatable_bonds: | 35 |
| MolWt: | 793.09 | Num_heavy_atoms: | 56 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD12722
Formula: C39H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 10.84 | Num_rotatable_bonds: | 31 |
| MolWt: | 614.95 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
