Glycoside
...
GD089507

Name:
None

Formula:
C19H30O10N

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCCOC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]C1CCCOC1

Sugarmoiety:
CC(=O)OO.CC(=O)OOOOC(C)=O.[OH2+]C1CCCOC1

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.79
AlogP: -1.19 Num_rotatable_bonds: 7
MolWt: 432.45 Num_heavy_atoms: 30
TPSA: 140.27 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
AD25121
Formula: C5H12ON

Smiles:
[NH3+]C1CCCOC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.59 Num_rotatable_bonds: 0
MolWt: 102.16 Num_heavy_atoms: 7
TPSA: 36.87 NumAromaticRings: 0

Sugarmoiety
SD04079

CC(=O)OO.CC(=O)OOOOC(C)=O.[OH2+]C1CCCOC1