Glycoside
GD040219
Name:
5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amineFormula:
C13H17O7N6PSmiles:
CN1N=C(N)c2cn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c3ncnc1c23Aglycone:
CN1N=C(N)C2=C[N]c3ncnc1c32.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.29 | Num_heavy_atoms: | 27 |
| TPSA: | 188.78 | NumAromaticRings: | 2 |
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 |
AD01721
Formula: C8H7N6
Smiles:
CN1N=C(N)C2=C[N]c3ncnc1c32| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.19 | Num_heavy_atoms: | 14 |
| TPSA: | 81.5 | NumAromaticRings: | 1 |
