Glycoside
GD137164
Name:
4-(acetyloxy)-5-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoateFormula:
C27H25O9N2ISmiles:
CC(=O)OC1C(OC(=O)c2ccc(C)cc2)C(COC(=O)c2ccc(C)cc2)OC1n1cc(I)c(O)nc1=OAglycone:
COC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)O)cc1.O=c1nc(O)c(I)c[nH]1Sugarmoiety:
CC(=O)OC1OC(CO)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.41 | Num_heavy_atoms: | 39 |
| TPSA: | 143.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04171
Formula: C9H10O2
Smiles:
COC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD55430
Formula: C4H3O2N2I
Smiles:
O=c1nc(O)c(I)c[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
