Glycoside
GD039225
Name:
[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphateFormula:
C24H34O18N7P3Smiles:
Cc1ncc(COP(=O)(O)O)c(C=N[C@@H]2C[C@@H](O)[C@@H](O[P@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)O[C@H]2C)c1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=Cc2c(COP(=O)(O)O)cnc(C)c2O)CC1O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 13 |
| MolWt: | 801.49 | Num_heavy_atoms: | 52 |
| TPSA: | 383.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24315
Formula: C15H25O14N2P3
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=Cc2c(COP(=O)(O)O)cnc(C)c2O)CC1O| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.29 | Num_heavy_atoms: | 34 |
| TPSA: | 243.99 | NumAromaticRings: | 1 |
