Glycoside
...
GD005682

Name:
None

Formula:
C20H32O12N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](ON=C(N)NCCC[C@H](N)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=NO)NCCCC(N)C(=O)O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 6 FractionCSP3: 0.7
AlogP: -1.9 Num_rotatable_bonds: 12
MolWt: 520.49 Num_heavy_atoms: 36
TPSA: 237.39 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
AD04789
Formula: C6H14O3N4

Smiles:
NC(=NO)NCCCC(N)C(=O)O
HBA: 7 RingCount: 0
HBD: 7 FractionCSP3: 0.67
AlogP: -1.53 Num_rotatable_bonds: 5
MolWt: 190.2 Num_heavy_atoms: 13
TPSA: 133.96 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O