Glycoside
...
GD003799

Name:
None

Formula:
C23H24O11N6S

Smiles:
CC(=O)Oc1ccccc1C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COS(=O)(=O)NC(=O)c1ccccc1OC(C)=O.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 3 FractionCSP3: 0.35
AlogP: -0.21 Num_rotatable_bonds: 9
MolWt: 592.54 Num_heavy_atoms: 41
TPSA: 230.22 NumAromaticRings: 3

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD03401
Formula: C10H11O6NS

Smiles:
COS(=O)(=O)NC(=O)c1ccccc1OC(C)=O
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.2
AlogP: 0.23 Num_rotatable_bonds: 4
MolWt: 273.27 Num_heavy_atoms: 18
TPSA: 98.77 NumAromaticRings: 1

Sugarmoiety
SD00105

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