Glycoside
GD039580
Name:
3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosineFormula:
C20H24O12N10P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H]3OP(=O)(O)O[C@H]23)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C2OP(=O)(O)OC21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.42 | Num_heavy_atoms: | 44 |
| TPSA: | 309.68 | NumAromaticRings: | 4 |
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 |
AD21030
Formula: C10H13O9N5P2
Smiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C2OP(=O)(O)OC21| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.19 | Num_heavy_atoms: | 26 |
| TPSA: | 201.37 | NumAromaticRings: | 2 |
