Glycoside
GD037206
Name:
1,2,4-tris(acetyloxy)-5-{3,7,8-trimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl acetateFormula:
C26H30O10N4Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(C)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=OAglycone:
Cc1cc2nc3c(=O)n(C)c(=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: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 174.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD23451
Formula: C14H14O2N4
Smiles:
Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.29 | Num_heavy_atoms: | 20 |
| TPSA: | 69.78 | NumAromaticRings: | 1 |
