Glycoside
GD134926
Name:
2-amino-3-(1-{[8-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridin-7-yl]methyl}-1H-imidazol-5-yl)propanoic acidFormula:
C23H27O8N7Smiles:
Cc1cc2c(cc1Cn1cncc1CC(N)C(=O)O)nc1c(O)nc(=O)nc-1n2CC(O)C(O)C(O)COAglycone:
Cc1cc2c(cc1Cn1cncc1CC(N)C(=O)O)nc1c(O)nc(=O)nc-1n2CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 529.51 | Num_heavy_atoms: | 38 |
| TPSA: | 242.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD54579
Formula: C19H19O4N7
Smiles:
Cc1cc2c(cc1Cn1cncc1CC(N)C(=O)O)nc1c(O)nc(=O)nc-1n2C| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.41 | Num_heavy_atoms: | 30 |
| TPSA: | 162.04 | NumAromaticRings: | 2 |
