Glycoside
...
GD100244

Name:
None

Formula:
C22H33O11N

Smiles:
COC(=O)[C@@H]1CCC[C@H](N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1

Aglycone:
COC(=O)C1CCCC(N)C1.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.77
AlogP: 0.39 Num_rotatable_bonds: 8
MolWt: 487.5 Num_heavy_atoms: 34
TPSA: 152.76 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
AD42357
Formula: C8H15O2N

Smiles:
COC(=O)C1CCCC(N)C1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.88
AlogP: 0.68 Num_rotatable_bonds: 1
MolWt: 157.21 Num_heavy_atoms: 11
TPSA: 52.32 NumAromaticRings: 0

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O