Glycoside
GD021376
Name:
(3R,5R)-3,5-Dihydroxy-1,7-Bis(3,4-Dihydroxyphenyl)Heptane3-O-Beta-D-GlucopyranosideFormula:
C25H34O11Smiles:
OC[C@@H]1O[C@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.54 | Num_heavy_atoms: | 36 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD14630
Formula: C19H24O6
Smiles:
Oc1ccc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 121.38 | NumAromaticRings: | 2 |
