Glycoside
...
GD105966

Name:
None

Formula:
C21H32O13N7P2S

Smiles:
NC(=S)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]2O)c1

Aglycone:
CO[PH](O)(O)O[PH](O)(O)O.NC(=S)c1ccc[nH+]c1.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)O1

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 12 FractionCSP3: 0.48
AlogP: -3.89 Num_rotatable_bonds: 11
MolWt: 684.54 Num_heavy_atoms: 44
TPSA: 307.51 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
AD00494
Formula: C6H7N2S

Smiles:
NC(=S)c1ccc[nH+]c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.13 Num_rotatable_bonds: 1
MolWt: 139.2 Num_heavy_atoms: 9
TPSA: 40.16 NumAromaticRings: 1
AD36283
Formula: CH10O7P2

Smiles:
CO[PH](O)(O)O[PH](O)(O)O
HBA: 7 RingCount: 0
HBD: 5 FractionCSP3: 1.0
AlogP: -1.57 Num_rotatable_bonds: 3
MolWt: 196.03 Num_heavy_atoms: 10
TPSA: 119.61 NumAromaticRings: 0

Sugarmoiety
SD03402

OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)O1