Glycoside
GD137621
Name:
2-amino-3-(2-{[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridin-8-yl]methyl}-1H-imidazol-4-yl)propanoic acidFormula:
C23H27O8N7Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1Cc1ncc(CC(N)C(=O)O)[nH]1Aglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1Cc1ncc(CC(N)C(=O)O)[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 529.51 | Num_heavy_atoms: | 38 |
| TPSA: | 253.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD55588
Formula: C19H19O4N7
Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1Cc1ncc(CC(N)C(=O)O)[nH]1| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.41 | Num_heavy_atoms: | 30 |
| TPSA: | 172.9 | NumAromaticRings: | 2 |
