Glycoside
...
GD033543

Name:
None

Formula:
C20H23O7N5PBr

Smiles:
C[C@]1(O)[C@H](O)[C@H](COP2(=O)OCCC(c3cccc(Br)c3)O2)O[C@H]1n1cnc2c(N)ncnc21

Aglycone:
COP1(=O)OCCC(c2cccc(Br)c2)O1.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.45
AlogP: 2.48 Num_rotatable_bonds: 5
MolWt: 556.31 Num_heavy_atoms: 34
TPSA: 164.07 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
AD21398
Formula: C10H12O4PBr

Smiles:
COP1(=O)OCCC(c2cccc(Br)c2)O1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.4
AlogP: 3.68 Num_rotatable_bonds: 2
MolWt: 307.08 Num_heavy_atoms: 16
TPSA: 44.76 NumAromaticRings: 1

Sugarmoiety
SD00027

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