Glycoside
GD086424
Name:
1-methyl 5-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-hydroxy-3-methylpentanedioateFormula:
C20H28O11Smiles:
COC(=O)C[C@](C)(O)CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)CC(C)(O)CC(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD38294
Formula: C14H18O6
Smiles:
COC(=O)CC(C)(O)CC(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
