Glycoside
...
GD026519

Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[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}methyl)oxan-2-yl]oxy}propyl octadeca-9,12-dienoate

Formula:
C45H78O24

Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO

Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 14 FractionCSP3: 0.89
AlogP: -4.01 Num_rotatable_bonds: 29
MolWt: 1003.1 Num_heavy_atoms: 69
TPSA: 383.36 NumAromaticRings: 0

Unique Aglycone
AD17472
Formula: C21H38O4

Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.76
AlogP: 4.7 Num_rotatable_bonds: 17
MolWt: 354.53 Num_heavy_atoms: 25
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00763

OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O