Glycoside
GD150058
Name:
1,2,4-tris(acetyloxy)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl acetateFormula:
C25H28O10N4Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(Cn1c2nc(=O)nc(O)c-2nc2cc(C)c(C)cc21)OC(C)=OAglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1CSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 544.52 | Num_heavy_atoms: | 39 |
| TPSA: | 186.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD45324
Formula: C13H12O2N4
Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 80.9 | NumAromaticRings: | 1 |
