Glycoside
GD030832
Name:
(3R,5R)-3,5-Dihydroxy-1-(3,4-Dihydroxyphenyl)-7-(4-Hydroxyphenyl)-Heptane 3-O-Beta-D-GlucopyranosideFormula:
C25H34O10Smiles:
OC[C@@H]1O[C@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 494.54 | Num_heavy_atoms: | 35 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD13729
Formula: C19H24O5
Smiles:
Oc1ccc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 332.4 | Num_heavy_atoms: | 24 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
