Glycoside
...
GD119656

Name:
7-(2-amino-4-oxo-1,4-dihydropteridin-6-yl)-6-{[1-(2-amino-4-oxo-1,4-dihydropteridin-6-yl)-6-carboxy-3,4,6-trihydroxy-5-(sulfooxy)hexan-2-yl]oxy}-2,4,5-trihydroxy-3-(sulfooxy)heptanoic acid

Formula:
C26H32O21N10S2

Smiles:
N=c1nc(O)c2nc(CC(OC(Cc3cnc4[nH]c(=N)nc(O)c4n3)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O)cnc2[nH]1

Aglycone:
Cc1cnc2[nH]c(=N)nc(O)c2n1.Cc1cnc2[nH]c(=N)nc(O)c2n1

Sugarmoiety:
O=C(O)C(O)C(OS(=O)(=O)O)C(O)C(O)C(O)OC(O)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 31 RingCount: 4
HBD: 16 FractionCSP3: 0.46
AlogP: -7.36 Num_rotatable_bonds: 20
MolWt: 884.73 Num_heavy_atoms: 59
TPSA: 529.49 NumAromaticRings: 4

Unique Aglycone
AD47979
Formula: C7H7ON5

Smiles:
Cc1cnc2[nH]c(=N)nc(O)c2n1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.14
AlogP: -0.15 Num_rotatable_bonds: 0
MolWt: 177.17 Num_heavy_atoms: 13
TPSA: 98.54 NumAromaticRings: 2

Sugarmoiety
SD05484

O=C(O)C(O)C(OS(=O)(=O)O)C(O)C(O)C(O)OC(O)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O