Glycoside
GD148355
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C39H66O19Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.82 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 25 |
| MolWt: | 838.94 | Num_heavy_atoms: | 58 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD12141
Formula: C21H36O4
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 16 |
| MolWt: | 352.52 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
