Glycoside
GD157896
Name:
4-(acetyloxy)-5-[(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)methyl]-2-(hydroxymethyl)oxolan-3-yl 2,4-dimethoxy-6-methylbenzoateFormula:
C22H26O10N2Smiles:
COc1cc(C)c(C(=O)OC2C(CO)OC(Cn3ccc(O)nc3=O)C2OC(C)=O)c(OC)c1Aglycone:
COc1cc(C)c(C(=O)O)c(OC)c1.Cn1ccc(O)nc1=OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 155.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD02489
Formula: C10H12O4
Smiles:
COc1cc(C)c(C(=O)O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD45166
Formula: C5H6O2N2
Smiles:
Cn1ccc(O)nc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
