Glycoside
...
GD038392

Name:
thioacetyl-adp-ribose

Formula:
C17H25O14N5P2S

Smiles:
CC(=S)O[C@@H]1[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)O[C@H]1O

Aglycone:
COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
CC(=S)OC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 8 FractionCSP3: 0.65
AlogP: -1.91 Num_rotatable_bonds: 10
MolWt: 617.42 Num_heavy_atoms: 39
TPSA: 280.52 NumAromaticRings: 2

Unique Aglycone
AD00050
Formula: C2H8O7P2

Smiles:
COP(=O)(O)OP(=O)(O)OC
HBA: 7 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 0.5 Num_rotatable_bonds: 4
MolWt: 206.03 Num_heavy_atoms: 11
TPSA: 102.29 NumAromaticRings: 0
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

Sugarmoiety
SD03391

CC(=S)OC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O