Glycoside
GD153052
Name:
3,4,5-trihydroxy-6-[(octadeca-9,12-dienoyloxy)methyl]oxan-2-yl octadeca-9,12,15-trienoateFormula:
C42H70O8Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC1OC(COC(=O)CCCCCCCC=CCC=CCCCCC)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 9.28 | Num_rotatable_bonds: | 30 |
| MolWt: | 703.01 | Num_heavy_atoms: | 50 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD16439
Formula: C19H34O2
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 294.48 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD20551
Formula: C18H30O2
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 278.44 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
