Glycoside
GD039498
Name:
5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosineFormula:
C26H25O7N5Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COc2cccc(CCC(=O)c3ccccc3C(=O)O)c2)[C@@H](O)[C@H]1OAglycone:
COc1cccc(CCC(=O)c2ccccc2C(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 519.51 | Num_heavy_atoms: | 38 |
| TPSA: | 182.91 | 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 |
AD24427
Formula: C17H16O4
Smiles:
COc1cccc(CCC(=O)c2ccccc2C(=O)O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
