Glycoside
GD022929
Name:
2-(octadec-9-enoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C45H78O10Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCC=CCCCCCCCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 8.88 | Num_rotatable_bonds: | 35 |
| MolWt: | 779.11 | Num_heavy_atoms: | 55 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01508
Formula: C39H68O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 11.06 | Num_rotatable_bonds: | 32 |
| MolWt: | 616.97 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
