Glycoside
GD007240
Name:
2-{2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxyprop-1-en-1-yl)-6-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O11Smiles:
COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD05909
Formula: C20H24O6
Smiles:
COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
