Glycoside
GD006372
Name:
2-{[5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H34O9Smiles:
OC[C@@H]1O[C@H](O[C@H](CCc2ccc(O)cc2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CCC(O)CC(O)CCc2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD05281
Formula: C19H24O4
Smiles:
Oc1ccc(CCC(O)CC(O)CCc2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 316.4 | Num_heavy_atoms: | 23 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
