Glycoside
...
GD085015

Name:
None

Formula:
C19H25O9N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc[nH+]cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cc[nH+]cc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.53
AlogP: 0.0 Num_rotatable_bonds: 7
MolWt: 425.41 Num_heavy_atoms: 30
TPSA: 140.6 NumAromaticRings: 1

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
AD38058
Formula: C5H7N2

Smiles:
Nc1cc[nH+]cc1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.08 Num_rotatable_bonds: 0
MolWt: 95.12 Num_heavy_atoms: 7
TPSA: 40.16 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O