Glycoside
GD146279
Name:
3-hydroxy-3-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}pentanoic acidFormula:
C20H28O10Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(OCCc2ccccc2)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.OCCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 428.43 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
