Glycoside
...
GD024835

Name:
None

Formula:
C16H33O9N3

Smiles:
CCCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO

Aglycone:
CCCC(N)=O.NCC(O)C(O)C(N)C(O)CO

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 11 FractionCSP3: 0.94
AlogP: -4.9 Num_rotatable_bonds: 11
MolWt: 411.45 Num_heavy_atoms: 28
TPSA: 220.98 NumAromaticRings: 0

Unique Aglycone
AD02390
Formula: C6H16O4N2

Smiles:
NCC(O)C(O)C(N)C(O)CO
HBA: 6 RingCount: 0
HBD: 8 FractionCSP3: 1.0
AlogP: -3.65 Num_rotatable_bonds: 5
MolWt: 180.2 Num_heavy_atoms: 12
TPSA: 132.96 NumAromaticRings: 0
AD04242
Formula: C4H9ON

Smiles:
CCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.27 Num_rotatable_bonds: 2
MolWt: 87.12 Num_heavy_atoms: 6
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O