Glycoside
...
GD006307

Name:
None

Formula:
C27H30O9N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc(N(CC2=C[N]N=N2)S(=O)(=O)c2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.37
AlogP: 2.31 Num_rotatable_bonds: 10
MolWt: 586.62 Num_heavy_atoms: 41
TPSA: 156.22 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
AD05236
Formula: C16H15O2N4S

Smiles:
Cc1ccc(N(CC2=C[N]N=N2)S(=O)(=O)c2ccccc2)cc1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.12
AlogP: 3.02 Num_rotatable_bonds: 5
MolWt: 327.39 Num_heavy_atoms: 23
TPSA: 76.2 NumAromaticRings: 2

Sugarmoiety
SD00105

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