Glycoside
GD156017
Name:
2-({8-[4-oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoyl}oxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C45H72O11Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC1C=CC(=O)C1CC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC1C=CC(=O)C1CC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 7.31 | Num_rotatable_bonds: | 31 |
| MolWt: | 789.06 | Num_heavy_atoms: | 56 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD61819
Formula: C39H62O6
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC1C=CC(=O)C1CC=CCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 9.48 | Num_rotatable_bonds: | 28 |
| MolWt: | 626.92 | Num_heavy_atoms: | 45 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
