Glycoside
...
GD100221

Name:
None

Formula:
C22H33O11N

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CCCC3(C2)OCCO3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CCCC2(C1)OCCO2

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.82
AlogP: 0.34 Num_rotatable_bonds: 7
MolWt: 487.5 Num_heavy_atoms: 34
TPSA: 144.92 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
AD26665
Formula: C8H15O2N

Smiles:
NC1CCCC2(C1)OCCO2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 1.0
AlogP: 0.63 Num_rotatable_bonds: 0
MolWt: 157.21 Num_heavy_atoms: 11
TPSA: 44.48 NumAromaticRings: 0

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O