Glycoside
...
GD015921

Name:
None

Formula:
C26H34O11N4S

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

Aglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)OC.NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.54
AlogP: 1.41 Num_rotatable_bonds: 12
MolWt: 610.64 Num_heavy_atoms: 42
TPSA: 205.3 NumAromaticRings: 2

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD01018
Formula: C8H7O2N4S

Smiles:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 2
MolWt: 223.24 Num_heavy_atoms: 15
TPSA: 98.98 NumAromaticRings: 1
AD04957
Formula: C4H8O2

Smiles:
CCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.57 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1