Glycoside
...
GD089503

Name:
None

Formula:
C19H32O10N

Smiles:
CCC[C@H](O)C[NH2+][C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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

Sugarmoiety:
CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 3 FractionCSP3: 0.79
AlogP: -1.21 Num_rotatable_bonds: 10
MolWt: 434.46 Num_heavy_atoms: 30
TPSA: 151.27 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
AD39050
Formula: C5H14ON

Smiles:
CCCC(O)C[NH3+]
HBA: 2 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.61 Num_rotatable_bonds: 3
MolWt: 104.17 Num_heavy_atoms: 7
TPSA: 47.87 NumAromaticRings: 0

Sugarmoiety
SD04071

CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O