Glycoside
...
GD017990

Name:
None

Formula:
C24H28O13N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 2 FractionCSP3: 0.46
AlogP: -0.46 Num_rotatable_bonds: 10
MolWt: 612.57 Num_heavy_atoms: 42
TPSA: 231.6 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
AD00701
Formula: C10H9O4N4S

Smiles:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 0.32 Num_rotatable_bonds: 4
MolWt: 281.27 Num_heavy_atoms: 19
TPSA: 125.28 NumAromaticRings: 1

Sugarmoiety
SD00012

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