Glycoside
...
GD108816

Name:
3-(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2-(2,3,4-trihydroxybutoxy)oxan-4-yl dodecanoate

Formula:
C26H46O12

Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC[C@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@H]1O

Aglycone:
CCCCCCCCCCCC(=O)O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(OCC(O)C(O)CO)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 4 FractionCSP3: 0.88
AlogP: 1.13 Num_rotatable_bonds: 19
MolWt: 550.64 Num_heavy_atoms: 38
TPSA: 178.28 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD04225

CC(=O)OC1C(OCC(O)C(O)CO)OC(O)C(O)C1O