Glycoside
...
GD135817

Name:
Sorbistin A2

Formula:
C16H33O9N3

Smiles:
CCCC(O)=NC1C(CO)OC(OC(C(O)CN)C(N)C(O)CO)C(O)C1O

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: -4.06 Num_rotatable_bonds: 11
MolWt: 411.45 Num_heavy_atoms: 28
TPSA: 224.47 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
AD53054
Formula: C4H9ON

Smiles:
CCCC(=N)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 1.32 Num_rotatable_bonds: 2
MolWt: 87.12 Num_heavy_atoms: 6
TPSA: 44.08 NumAromaticRings: 0

Sugarmoiety
SD00003

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