Glycoside
...
GD095695

Name:
None

Formula:
C20H30O11N

Smiles:
C#CCOC[C@@H](O)C[NH2+][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:
C#CCOCC(O)C[NH3+].COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 3 FractionCSP3: 0.7
AlogP: -2.36 Num_rotatable_bonds: 11
MolWt: 460.46 Num_heavy_atoms: 32
TPSA: 160.5 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
AD40802
Formula: C6H12O2N

Smiles:
C#CCOCC(O)C[NH3+]
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 0.67
AlogP: -1.76 Num_rotatable_bonds: 4
MolWt: 130.17 Num_heavy_atoms: 9
TPSA: 57.1 NumAromaticRings: 0

Sugarmoiety
SD04071

CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O