Glycoside
GD035100
Name:
NoneFormula:
C18H20O5N4Smiles:
COc1ccc(-c2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n3ncnc(N)c23)cc1Aglycone:
COc1ccc(-c2ccn3ncnc(N)c23)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.38 | Num_heavy_atoms: | 27 |
| TPSA: | 135.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD22230
Formula: C13H12ON4
Smiles:
COc1ccc(-c2ccn3ncnc(N)c23)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.27 | Num_heavy_atoms: | 18 |
| TPSA: | 65.44 | NumAromaticRings: | 3 |
