Glycoside
...
GD025253

Name:
None

Formula:
C16H18O11N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(=O)n(C)c(=O)c3c2no[n+]3[O-])[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1c(=O)[nH]c2no[n+]([O-])c2c1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 0 FractionCSP3: 0.56
AlogP: -2.35 Num_rotatable_bonds: 5
MolWt: 442.34 Num_heavy_atoms: 31
TPSA: 185.1 NumAromaticRings: 2

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
AD16768
Formula: C5H4O4N4

Smiles:
Cn1c(=O)[nH]c2no[n+]([O-])c2c1=O
HBA: 8 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: -2.15 Num_rotatable_bonds: 0
MolWt: 184.11 Num_heavy_atoms: 13
TPSA: 107.83 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O