Glycoside
GD037679
Name:
adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridineFormula:
C19H25O14N7P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]2C[C@@H](n3ccc(=O)[nH]c3=O)O[C@H]2CO)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1CC(n2ccc(=O)[nH]c2=O)OC1CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 637.39 | Num_heavy_atoms: | 42 |
| TPSA: | 305.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 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 |
AD06693
Formula: C10H16O11N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1CC(n2ccc(=O)[nH]c2=O)OC1CO| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.19 | Num_heavy_atoms: | 25 |
| TPSA: | 186.61 | NumAromaticRings: | 1 |
