Glycoside
GD038365
Name:
1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitolFormula:
C19H24O11N4PSmiles:
CC(=O)[N@+]12O[C@]13C(=O)NC(=O)N=C3N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)c1cc(C)c(C)cc12Aglycone:
CC(=O)[N+]12OC13C(=O)NC(=O)N=C3N(C)c1cc(C)c(C)cc12Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 515.39 | Num_heavy_atoms: | 35 |
| TPSA: | 218.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD23988
Formula: C15H15O4N4
Smiles:
CC(=O)[N+]12OC13C(=O)NC(=O)N=C3N(C)c1cc(C)c(C)cc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 315.31 | Num_heavy_atoms: | 23 |
| TPSA: | 91.37 | NumAromaticRings: | 1 |
