Glycoside
GD119551
Name:
1-(icosa-5,8,11,14,17-pentaenoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl icosa-5,8,11,14,17-pentaenoateFormula:
C49H74O10Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 9.1 | Num_rotatable_bonds: | 33 |
| MolWt: | 823.12 | Num_heavy_atoms: | 59 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47921
Formula: C43H64O5
Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.49 |
| AlogP: | 11.28 | Num_rotatable_bonds: | 30 |
| MolWt: | 660.98 | Num_heavy_atoms: | 48 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
