Glycoside
GD134411
Name:
4-(acetyloxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]hexanoateFormula:
C30H38O12Smiles:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)OC2C(O)OC(CO)C(O)C2OC(C)=O)ccc1OAglycone:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 590.62 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD48346
Formula: C22H26O6
Smiles:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
