Glycoside
GD011225
Name:
NoneFormula:
C28H34O6N6Smiles:
Nc1ncnc2c1nc(NCc1ccc(-c3ccccc3)c(OCCCCCO)c1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCCCCO)c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 550.62 | Num_heavy_atoms: | 40 |
| TPSA: | 181.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD08601
Formula: C23H25O2N6
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCCCCO)c1)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 417.49 | Num_heavy_atoms: | 31 |
| TPSA: | 119.75 | NumAromaticRings: | 3 |
