Glycoside
...
GD021523

Name:
None

Formula:
C22H24O11N3P

Smiles:
CC(=O)O[C@@H]1[C@@H](n2ccnc(C(N)=O)c2=O)O[C@@H](COP2(=O)OCc3cccc(C)c3O2)[C@H]1OC(C)=O

Aglycone:
COP1(=O)OCc2cccc(C)c2O1.NC(=O)c1ncc[nH]c1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.41
AlogP: 1.15 Num_rotatable_bonds: 7
MolWt: 537.42 Num_heavy_atoms: 37
TPSA: 184.57 NumAromaticRings: 2

Unique Aglycone
AD00903
Formula: C5H5O2N3

Smiles:
NC(=O)c1ncc[nH]c1=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -1.13 Num_rotatable_bonds: 1
MolWt: 139.11 Num_heavy_atoms: 10
TPSA: 88.84 NumAromaticRings: 1
AD03039
Formula: C9H11O4P

Smiles:
COP1(=O)OCc2cccc(C)c2O1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.33
AlogP: 2.66 Num_rotatable_bonds: 1
MolWt: 214.16 Num_heavy_atoms: 14
TPSA: 44.76 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O