Glycoside
...
GD146009

Name:
N-Butylglucosamine Ester Derivative A

Formula:
C31H56O8N2

Smiles:
CCCCCCCCC=CCCCCCC(O)=NC(C(=O)OC1OC(CO)C(O)C(O)C1N=C(O)CCC)C(C)C

Aglycone:
CCCC(=N)O.CCCCCCCCC=CCCCCCC(O)=NC(C(=O)O)C(C)C

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.84
AlogP: 5.33 Num_rotatable_bonds: 21
MolWt: 584.79 Num_heavy_atoms: 41
TPSA: 161.4 NumAromaticRings: 0

Unique Aglycone
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
AD58577
Formula: C21H39O3N

Smiles:
CCCCCCCCC=CCCCCCC(O)=NC(C(=O)O)C(C)C
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.81
AlogP: 6.31 Num_rotatable_bonds: 16
MolWt: 353.55 Num_heavy_atoms: 25
TPSA: 69.89 NumAromaticRings: 0

Sugarmoiety
SD00003

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