Glycoside
...
GD021081

Name:
None

Formula:
C20H32O9N4

Smiles:
CCCC(=O)OC1O[C@H](CO)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1NC(=O)CN=[N+]=[N-]

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[N-]=[N+]=NCC(N)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 2 FractionCSP3: 0.8
AlogP: 1.27 Num_rotatable_bonds: 13
MolWt: 472.5 Num_heavy_atoms: 33
TPSA: 186.22 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD11291
Formula: C2H4ON4

Smiles:
[N-]=[N+]=NCC(N)=O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.22 Num_rotatable_bonds: 2
MolWt: 100.08 Num_heavy_atoms: 7
TPSA: 91.85 NumAromaticRings: 0

Sugarmoiety
SD00003

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