Glycoside
GD011335
Name:
2-[3-(carboxymethyl)-3-hydroxy-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acidFormula:
C17H24O14Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@](O)(CC(=O)O)[C@H]1CC(=O)OAglycone:
COC(=O)C1=COC(O)C(O)(CC(=O)O)C1CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.37 | Num_heavy_atoms: | 31 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD08674
Formula: C11H14O9
Smiles:
COC(=O)C1=COC(O)C(O)(CC(=O)O)C1CC(=O)O| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.22 | Num_heavy_atoms: | 20 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
