Glycoside
GD131251
Name:
3-[2-methyl-5-oxo-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)oxolan-2-yl]propanoic acidFormula:
C17H28O10Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC(=O)OC1(C)CCC(=O)OAglycone:
CC(C)(O)C1CC(=O)OC1(C)CCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.4 | Num_heavy_atoms: | 27 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53178
Formula: C11H18O5
Smiles:
CC(C)(O)C1CC(=O)OC1(C)CCC(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 230.26 | Num_heavy_atoms: | 16 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
