Glycoside
GD157069
Name:
5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentanoic acidFormula:
C17H18O7N4Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C(O)C(=O)O)c2cc1CAglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1CSugarmoiety:
O=C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.35 | Num_heavy_atoms: | 28 |
| TPSA: | 178.89 | 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 |
