Glycoside
GD013290
Name:
1-(octadeca-6,9,12,15-tetraenoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl octadeca-6,9,12,15-tetraenoateFormula:
C45H70O10Smiles:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 7.99 | Num_rotatable_bonds: | 31 |
| MolWt: | 771.04 | Num_heavy_atoms: | 55 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD09937
Formula: C39H60O5
Smiles:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 10.16 | Num_rotatable_bonds: | 28 |
| MolWt: | 608.9 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
