Glycoside
GD026310
Name:
2-{[5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O10Smiles:
COc1cc(CC[C@H](C[C@H](O)CCc2ccc(O)cc2)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(CCC(O)CC(O)CCc2ccc(O)cc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 169.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD17349
Formula: C20H26O5
Smiles:
COc1cc(CCC(O)CC(O)CCc2ccc(O)cc2)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
