Glycoside
GD116546
Name:
1-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-(octadeca-6,9,12,15-tetraenoyloxy)propan-2-yl octadeca-6,9,12,15-tetraenoateFormula:
C51H80O14Smiles:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(COC1CC(O)C(O)C(COC2OC(CO)C(O)C(O)C2O)O1)OC(=O)CCCCC=CCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(OCC2OC(O)CC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 34 |
| MolWt: | 917.19 | Num_heavy_atoms: | 65 |
| TPSA: | 210.9 | 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 |
