Glycoside
...
GD104568

Name:
None

Formula:
C22H33O10N

Smiles:
CO[C@H]1CC[C@@H](/C=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)CC1

Aglycone:
COC(C)=O.COC1CCC(C=N)CC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.77
AlogP: 1.35 Num_rotatable_bonds: 8
MolWt: 471.5 Num_heavy_atoms: 33
TPSA: 136.02 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
AD43995
Formula: C8H15ON

Smiles:
COC1CCC(C=N)CC1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.88
AlogP: 1.84 Num_rotatable_bonds: 2
MolWt: 141.21 Num_heavy_atoms: 10
TPSA: 33.08 NumAromaticRings: 0

Sugarmoiety
SD00215

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