Glycoside
GD037932
Name:
[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphateFormula:
C15H23O14N5P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)C(=O)CO)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O[PH](=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
O=C(CO)C(O)C(O)COO.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 559.32 | Num_heavy_atoms: | 36 |
| TPSA: | 299.36 | NumAromaticRings: | 2 |
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 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
