Glycoside
...
GD032556

Name:
None

Formula:
C21H26O9N4S

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

Aglycone:
COC(C)=O.CS(=O)(=O)N(CC1=C[N]N=N1)c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 0.57 Num_rotatable_bonds: 9
MolWt: 510.53 Num_heavy_atoms: 35
TPSA: 156.22 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
AD20873
Formula: C10H11O2N4S

Smiles:
CS(=O)(=O)N(CC1=C[N]N=N1)c1ccccc1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 1.28 Num_rotatable_bonds: 4
MolWt: 251.29 Num_heavy_atoms: 17
TPSA: 76.2 NumAromaticRings: 1

Sugarmoiety
SD00105

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