Glycoside
GD034465
Name:
2-{[5'-(2,3-dihydroxypropyl)-5-(prop-2-en-1-yl)-[1,1'-biphenyl]-2'-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H30O9Smiles:
C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(C[C@H](O)CO)ccc2O)c1Aglycone:
C=CCc1ccc(O)c(-c2cc(CC(O)CO)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.5 | Num_heavy_atoms: | 33 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD21908
Formula: C18H20O4
Smiles:
C=CCc1ccc(O)c(-c2cc(CC(O)CO)ccc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.35 | Num_heavy_atoms: | 22 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
