Glycoside

GD038420
Name:
6-(adenosine tetraphosphate-methyl)-7,8-dihydropterinFormula:
C17H24O17N10P4Smiles:
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)CN2Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1=Nc2c(nc(N)[nH]c2=O)NC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther 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]2HBA: | 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)NC1HBA: | 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 |