Glycoside
...
GD107478

Name:
None

Formula:
C21H25O12N3

Smiles:
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)Nc1cccc([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 0.8 Num_rotatable_bonds: 8
MolWt: 511.44 Num_heavy_atoms: 36
TPSA: 198.7 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
AD44318
Formula: C7H7O3N3

Smiles:
NC(=O)Nc1cccc([N+](=O)[O-])c1
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 2
MolWt: 181.15 Num_heavy_atoms: 13
TPSA: 98.26 NumAromaticRings: 1

Sugarmoiety
SD00889

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