Glycoside
GD039874
Name:
1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitolFormula:
C14H20O7N2Smiles:
CC(=O)C=Cc1c(CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[nH]c(=O)[nH]c1=OAglycone:
CCc1[nH]c(=O)[nH]c(=O)c1C=CC(C)=OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 328.32 | Num_heavy_atoms: | 23 |
| TPSA: | 163.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD24568
Formula: C10H12O3N2
Smiles:
CCc1[nH]c(=O)[nH]c(=O)c1C=CC(C)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.22 | Num_heavy_atoms: | 15 |
| TPSA: | 82.79 | NumAromaticRings: | 1 |
