Glycoside
...
GD082982

Name:
None

Formula:
C18H26O11

Smiles:
CC(=O)OC[C@@H]1O[C@@H](OC/C=C/CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCC=CCO

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: -0.37 Num_rotatable_bonds: 9
MolWt: 418.4 Num_heavy_atoms: 29
TPSA: 143.89 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
AD15224
Formula: C4H8O2

Smiles:
OCC=CCO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.47 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O