Glycoside
GD026439
Name:
NoneFormula:
C27H32O6N6Smiles:
Nc1ncnc2c1nc(NCc1ccc(-c3ccccc3)c(OCCCCO)c1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCCCO)c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 536.59 | Num_heavy_atoms: | 39 |
| TPSA: | 181.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD17428
Formula: C22H23O2N6
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCCCO)c1)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.47 | Num_heavy_atoms: | 30 |
| TPSA: | 119.75 | NumAromaticRings: | 3 |
