Glycoside
...
GD107480

Name:
None

Formula:
C20H21O9N7S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2ncc3c(Sc4c([N+](=O)[O-])ncn4C)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1C=N[N]2

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 0 FractionCSP3: 0.45
AlogP: 0.94 Num_rotatable_bonds: 8
MolWt: 535.5 Num_heavy_atoms: 37
TPSA: 192.69 NumAromaticRings: 3

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
AD19426
Formula: C9H6O2N7S

Smiles:
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1C=N[N]2
HBA: 9 RingCount: 3
HBD: 0 FractionCSP3: 0.11
AlogP: 0.85 Num_rotatable_bonds: 3
MolWt: 276.26 Num_heavy_atoms: 19
TPSA: 113.2 NumAromaticRings: 2

Sugarmoiety
SD00105

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