Glycoside
GD038318
Name:
[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphateFormula:
C10H15O11N5P2Smiles:
Nc1ncnc2c1[nH]c(=O)n2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.2 | Num_heavy_atoms: | 28 |
| TPSA: | 252.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD16559
Formula: C5H5ON5
Smiles:
Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.13 | Num_heavy_atoms: | 11 |
| TPSA: | 100.45 | NumAromaticRings: | 2 |
