Glycoside
GD038384
Name:
[(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C18H24O7N6PSmiles:
NCc1ccc(C[n+]2cnc3c(ncn3[C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2N)cc1Aglycone:
COP(=O)(O)O.NCc1ccc(C[n+]2cnc3c(c2N)N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.4 | Num_heavy_atoms: | 32 |
| TPSA: | 203.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24003
Formula: C13H14N6
Smiles:
NCc1ccc(C[n+]2cnc3c(c2N)N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.3 | Num_heavy_atoms: | 19 |
| TPSA: | 95.27 | NumAromaticRings: | 2 |
