Glycoside
GD119383
Name:
2-(octadecanoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C45H80O10Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 9.11 | Num_rotatable_bonds: | 36 |
| MolWt: | 781.12 | Num_heavy_atoms: | 55 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47819
Formula: C39H70O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 11.28 | Num_rotatable_bonds: | 33 |
| MolWt: | 618.98 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
