Glycoside
...
GD152843

Name:
None

Formula:
C12H18O10N2

Smiles:
O=C(CC[NH+]([O-])O)OC1C(O)C(CO)OC(n2ccc(=O)o2)C1O

Aglycone:
O=C(O)CC[NH+]([O-])O.O=C1C=C[N]O1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.67
AlogP: -3.87 Num_rotatable_bonds: 6
MolWt: 350.28 Num_heavy_atoms: 24
TPSA: 179.09 NumAromaticRings: 1

Unique Aglycone
AD45879
Formula: C3H7O4N

Smiles:
O=C(O)CC[NH+]([O-])O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.67
AlogP: -1.77 Num_rotatable_bonds: 3
MolWt: 121.09 Num_heavy_atoms: 8
TPSA: 85.03 NumAromaticRings: 0
AD47139
Formula: C3H2O2N

Smiles:
O=C1C=C[N]O1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: -0.42 Num_rotatable_bonds: 0
MolWt: 84.05 Num_heavy_atoms: 6
TPSA: 40.4 NumAromaticRings: 0

Sugarmoiety
SD00003

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