Glycoside
...
GD008492

Name:
None

Formula:
C26H32O8N6PCl

Smiles:
CC(C)[C@H](N)C(=O)O[C@@H]1[C@H](COP2(=O)OCCC(c3cccc(Cl)c3)O2)O[C@H](n2cnc3c(N)ncnc32)[C@]1(C)O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.52
AlogP: 2.91 Num_rotatable_bonds: 8
MolWt: 610.99 Num_heavy_atoms: 41
TPSA: 196.16 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
AD02767
Formula: C5H11O2N

Smiles:
CC(C)C(N)C(=O)O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: 0.05 Num_rotatable_bonds: 2
MolWt: 117.15 Num_heavy_atoms: 8
TPSA: 63.32 NumAromaticRings: 0
AD04023
Formula: C11H12O4PCl

Smiles:
COP1(=O)OCCC(c2cccc(Cl)c2)O1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.4
AlogP: 3.57 Num_rotatable_bonds: 2
MolWt: 262.63 Num_heavy_atoms: 16
TPSA: 44.76 NumAromaticRings: 1

Sugarmoiety
SD00027

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