Glycoside
GD113827
Name:
[3,4-bis(benzoyloxy)-5-[3-(2,4-dichlorobenzoyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methyl 2,4-dichlorobenzoateFormula:
C41H24O10N2Cl4Smiles:
O=C(O[C@@H]1[C@H](COC(=O)c2ccc(Cl)cc2Cl)O[C@@H](n2ccc(=O)n(C(=O)c3ccc(Cl)cc3Cl)c2=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccc(Cl)cc1Cl.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(c1ccc(Cl)cc1Cl)n1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 798.42 | Num_heavy_atoms: | 53 |
| TPSA: | 149.2 | NumAromaticRings: | 5 |
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 |
AD44819
Formula: C10H6O2Cl2
Smiles:
COC(=O)c1ccc(Cl)cc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.04 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44821
Formula: C13H6O3N2Cl2
Smiles:
O=C(c1ccc(Cl)cc1Cl)n1c(=O)cc[nH]c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.09 | Num_heavy_atoms: | 18 |
| TPSA: | 71.93 | NumAromaticRings: | 2 |
