Glycoside
...
GD100424

Name:
None

Formula:
C22H37O10N2

Smiles:
CCN(CC)C(=O)C[C@@H](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:
CCN(CC)C(=O)CC(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: 2 FractionCSP3: 0.77
AlogP: -0.72 Num_rotatable_bonds: 11
MolWt: 489.54 Num_heavy_atoms: 34
TPSA: 151.35 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
AD26685
Formula: C8H19ON2

Smiles:
CCN(CC)C(=O)CC(C)[NH3+]
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.88
AlogP: -0.12 Num_rotatable_bonds: 4
MolWt: 159.25 Num_heavy_atoms: 11
TPSA: 47.95 NumAromaticRings: 0

Sugarmoiety
SD04071

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