Glycoside
...
GD099125

Name:
None

Formula:
C20H25O12N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc([N+](=O)[O-])c(=O)n(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1cc(N)cc([N+](=O)[O-])c1=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 1 FractionCSP3: 0.55
AlogP: -0.21 Num_rotatable_bonds: 8
MolWt: 499.43 Num_heavy_atoms: 35
TPSA: 191.6 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
AD29136
Formula: C6H7O3N3

Smiles:
Cn1cc(N)cc([N+](=O)[O-])c1=O
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: -0.12 Num_rotatable_bonds: 1
MolWt: 169.14 Num_heavy_atoms: 12
TPSA: 91.16 NumAromaticRings: 1

Sugarmoiety
SD00889

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