Glycoside
...
GD039204

Name:
glucopine

Formula:
C11H22O8N2

Smiles:
NC(=O)CC[C@@H](NC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C(=O)O

Aglycone:
CNC(CCC(N)=O)C(=O)O

Sugarmoiety:
OCC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 10 RingCount: 0
HBD: 9 FractionCSP3: 0.82
AlogP: -4.27 Num_rotatable_bonds: 11
MolWt: 310.3 Num_heavy_atoms: 21
TPSA: 193.57 NumAromaticRings: 0

Unique Aglycone
AD24309
Formula: C6H12O3N2

Smiles:
CNC(CCC(N)=O)C(=O)O
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.67
AlogP: -1.08 Num_rotatable_bonds: 5
MolWt: 160.17 Num_heavy_atoms: 11
TPSA: 92.42 NumAromaticRings: 0

Sugarmoiety
SD00084

OCC(O)C(O)C(O)C(O)O