Glycoside
GD115725
Name:
4-{[6-({3-[2-(3-ethylphenyl)ethoxy]-2,4-dihydroxy-5-methoxybenzoyloxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-methoxybenzoic acidFormula:
C32H36O14Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OCC3OC(Oc4ccc(C(=O)O)cc4OC)C(O)C(O)C3O)c2O)c1Aglycone:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OC)c2O)c1.COc1cc(C(=O)O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 644.63 | Num_heavy_atoms: | 46 |
| TPSA: | 210.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45836
Formula: C19H22O6
Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OC)c2O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
