Glycoside
...
GD111565

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

Formula:
C32H56O13

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

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

Sugarmoiety:
CC(=O)OCC1OC(O)C(O)C(OCC(O)C(O)CO)O1

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 3 FractionCSP3: 0.88
AlogP: 3.26 Num_rotatable_bonds: 24
MolWt: 648.79 Num_heavy_atoms: 45
TPSA: 184.35 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
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 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
SD04255

CC(=O)OCC1OC(O)C(O)C(OCC(O)C(O)CO)O1