Glycoside
...
GD099713

Name:
None

Formula:
C19H23O9N5S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Sc2nc3c(N)ncnc3[nH]2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncnc2[nH]c(S)nc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.53
AlogP: 0.11 Num_rotatable_bonds: 7
MolWt: 497.49 Num_heavy_atoms: 34
TPSA: 194.91 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
AD24908
Formula: C5H5N5S

Smiles:
Nc1ncnc2[nH]c(S)nc12
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 0.22 Num_rotatable_bonds: 0
MolWt: 167.2 Num_heavy_atoms: 11
TPSA: 80.48 NumAromaticRings: 2

Sugarmoiety
SD00012

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