Glycoside
...
GD016937

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-9,12,15-trienoate

Formula:
C45H76O24

Smiles:
CCC=CCC=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:
CCC=CCC=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: 0.84
AlogP: -4.23 Num_rotatable_bonds: 28
MolWt: 1001.08 Num_heavy_atoms: 69
TPSA: 383.36 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

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