Glycoside
GD104187
Name:
2-[2,6-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-2-hydroxyacetic acidFormula:
C24H34O9Smiles:
CC(C)=CCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(CC=C(C)C)c1[C@@H](O)C(=O)OAglycone:
CC(C)=CCc1cc(O)cc(CC=C(C)C)c1C(O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 466.53 | Num_heavy_atoms: | 33 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD43974
Formula: C18H24O4
Smiles:
CC(C)=CCc1cc(O)cc(CC=C(C)C)c1C(O)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
