Glycoside
...
GD010178

Name:
None

Formula:
C19H22O7N6PBr

Smiles:
C[C@]1(O)[C@H](O)[C@H](COP2(=O)OCCC(c3cncc(Br)c3)O2)O[C@H]1n1cnc2c(N)ncnc21

Aglycone:
COP1(=O)OCCC(c2cncc(Br)c2)O1.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 4 FractionCSP3: 0.47
AlogP: 1.88 Num_rotatable_bonds: 5
MolWt: 557.3 Num_heavy_atoms: 34
TPSA: 176.96 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
AD07903
Formula: C9H11O4NPBr

Smiles:
COP1(=O)OCCC(c2cncc(Br)c2)O1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.44
AlogP: 3.08 Num_rotatable_bonds: 2
MolWt: 308.07 Num_heavy_atoms: 16
TPSA: 57.65 NumAromaticRings: 1

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O