Glycoside
GD123095
Name:
4-(benzoyloxy)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-5-(hydroxymethyl)oxolan-3-yl benzoateFormula:
C23H20O8N2Smiles:
O=C(OC1C(CO)OC(n2ccc(O)nc2=O)C1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1nc(O)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.42 | Num_heavy_atoms: | 33 |
| TPSA: | 137.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
