Glycoside
...
GD116221

Name:
None

Formula:
C91H132O38

Smiles:
CC(=O)OC1COC(OC2C(OC(C)=O)COC(OC3C(OC(C)=O)COC(OC4C(OC(C)=O)COC(OC5C(OC(C)=O)COC(OC6COC(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(OC(C)=O)C6OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO

Sugarmoiety:
CC(=O)OC1COC(OC2C(OC(C)=O)COC(OC3C(OC(C)=O)COC(OC4C(OC(C)=O)COC(OC5C(OC(C)=O)COC(OC6COC(O)C(OC(C)=O)C6OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 38 RingCount: 6
HBD: 0 FractionCSP3: 0.7
AlogP: 9.5 Num_rotatable_bonds: 44
MolWt: 1834.02 Num_heavy_atoms: 129
TPSA: 452.66 NumAromaticRings: 0

Unique Aglycone
AD46113
Formula: C35H58O

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 0.6
AlogP: 11.3 Num_rotatable_bonds: 19
MolWt: 494.85 Num_heavy_atoms: 36
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD04812

CC(=O)OC1COC(OC2C(OC(C)=O)COC(OC3C(OC(C)=O)COC(OC4C(OC(C)=O)COC(OC5C(OC(C)=O)COC(OC6COC(O)C(OC(C)=O)C6OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O