Glycoside
...
GD008844

Name:
None

Formula:
C18H25O12N

Smiles:
CC(=O)OCC(=O)N[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:
CC(=O)OCC(N)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: -1.25 Num_rotatable_bonds: 8
MolWt: 447.39 Num_heavy_atoms: 31
TPSA: 169.83 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
AD07013
Formula: C4H7O3N

Smiles:
CC(=O)OCC(N)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.97 Num_rotatable_bonds: 2
MolWt: 117.1 Num_heavy_atoms: 8
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00215

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