Glycoside
GD117550
Name:
4-(acetyloxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]butanoateFormula:
C28H34O11Smiles:
COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)OC2C(O)OC(CO)C(O)C2OC(C)=O)ccc1OAglycone:
COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD46878
Formula: C20H22O5
Smiles:
COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
