Glycoside
...
GD038420

Name:
6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin

Formula:
C17H24O17N10P4

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]1O)CN2

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1=Nc2c(nc(N)[nH]c2=O)NC1.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 5
HBD: 12 FractionCSP3: 0.41
AlogP: -1.62 Num_rotatable_bonds: 13
MolWt: 764.33 Num_heavy_atoms: 48
TPSA: 410.82 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
AD24015
Formula: C8H15O14N5P4

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1=Nc2c(nc(N)[nH]c2=O)NC1
HBA: 19 RingCount: 2
HBD: 8 FractionCSP3: 0.38
AlogP: -0.04 Num_rotatable_bonds: 10
MolWt: 529.13 Num_heavy_atoms: 31
TPSA: 291.51 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O