Glycoside
GD136767
Name:
4-(acetyloxy)-5-[(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)methyl]-2-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoateFormula:
C21H24O10N2Smiles:
COc1cc(O)cc(C)c1C(=O)OC1C(CO)OC(Cn2ccc(O)nc2=O)C1OC(C)=OAglycone:
COc1cc(O)cc(C)c1C(=O)O.Cn1ccc(O)nc1=OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.43 | Num_heavy_atoms: | 33 |
| TPSA: | 166.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD08265
Formula: C9H10O4
Smiles:
COc1cc(O)cc(C)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | 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 |
