Glycoside
GD036945
Name:
4-methyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-2-(2-methylpropyl)butanedioateFormula:
C22H32O11Smiles:
COC(=O)C[C@](O)(CC(C)C)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)CC(O)(CC(C)C)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 472.49 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD23294
Formula: C16H22O6
Smiles:
COC(=O)CC(O)(CC(C)C)C(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 310.35 | Num_heavy_atoms: | 22 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
