Glycoside
...
GD031719

Name:
None

Formula:
C21H28O12

Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=C(C(C)=O)C(C)=O)OC(C)=O

Aglycone:
C=C(C(C)=O)C(C)=O

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 0
HBD: 0 FractionCSP3: 0.57
AlogP: 0.38 Num_rotatable_bonds: 12
MolWt: 472.44 Num_heavy_atoms: 33
TPSA: 165.64 NumAromaticRings: 0

Unique Aglycone
AD09410
Formula: C6H8O2

Smiles:
C=C(C(C)=O)C(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.33
AlogP: 0.72 Num_rotatable_bonds: 2
MolWt: 112.13 Num_heavy_atoms: 8
TPSA: 34.14 NumAromaticRings: 0

Sugarmoiety
SD00291

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O