Glycoside
...
GD004933

Name:
None

Formula:
C13H22O13N5P3

Smiles:
CCC[C@@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O

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

Sugarmoiety:
CCCC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 8 FractionCSP3: 0.62
AlogP: -0.46 Num_rotatable_bonds: 10
MolWt: 549.26 Num_heavy_atoms: 34
TPSA: 279.13 NumAromaticRings: 2

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
AD00534
Formula: CH7O10P3

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 271.98 Num_heavy_atoms: 14
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD00930

CCCC1(O)OC(O)C(O)C1O