Glycoside
...
GD014775

Name:
None

Formula:
C20H29O11N

Smiles:
CCCC(=O)CC(=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:
CCCC(=O)CC(N)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 1 FractionCSP3: 0.7
AlogP: -0.05 Num_rotatable_bonds: 10
MolWt: 459.45 Num_heavy_atoms: 32
TPSA: 160.6 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
AD10825
Formula: C6H11O2N

Smiles:
CCCC(=O)CC(N)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.23 Num_rotatable_bonds: 4
MolWt: 129.16 Num_heavy_atoms: 9
TPSA: 60.16 NumAromaticRings: 0

Sugarmoiety
SD00215

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