Glycoside
...
GD127069

Name:
None

Formula:
C19H24O13N2

Smiles:
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)c2ccc([NH+]([O-])O)o2)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)c1ccc([NH+]([O-])O)o1

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 3 FractionCSP3: 0.53
AlogP: -1.5 Num_rotatable_bonds: 8
MolWt: 488.4 Num_heavy_atoms: 34
TPSA: 204.4 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
AD51439
Formula: C5H6O4N2

Smiles:
NC(=O)c1ccc([NH+]([O-])O)o1
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: -1.22 Num_rotatable_bonds: 2
MolWt: 158.11 Num_heavy_atoms: 11
TPSA: 103.96 NumAromaticRings: 1

Sugarmoiety
SD00889

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