Glycoside
...
GD032394

Name:
None

Formula:
C26H28O9N4S

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.35
AlogP: 2.0 Num_rotatable_bonds: 10
MolWt: 572.6 Num_heavy_atoms: 40
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
AD20780
Formula: C15H13O2N4S

Smiles:
O=S(=O)(c1ccccc1)N(CC1=C[N]N=N1)c1ccccc1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 2.71 Num_rotatable_bonds: 5
MolWt: 313.36 Num_heavy_atoms: 22
TPSA: 76.2 NumAromaticRings: 2

Sugarmoiety
SD00105

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