Glycoside
GD138991
Name:
4-methyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-2-(propan-2-yl)butanedioateFormula:
C21H30O11Smiles:
COC(=O)CC(O)(C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(C)CAglycone:
COC(=O)CC(O)(C(=O)OCc1ccc(O)cc1)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD56065
Formula: C15H20O6
Smiles:
COC(=O)CC(O)(C(=O)OCc1ccc(O)cc1)C(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
