Glycoside
GD122549
Name:
1-{[5-hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(octadeca-9,12,15-trienoyloxy)propan-2-yl octadeca-9,12,15-trienoateFormula:
C45H74O11Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(OO)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 8.93 | Num_rotatable_bonds: | 34 |
| MolWt: | 791.08 | Num_heavy_atoms: | 56 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD02397
Formula: C39H64O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 612.94 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
