Glycoside
GD093550
Name:
2-hydroxy-2-{2-oxo-2-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]ethyl}butanedioic acidFormula:
C19H24O13Smiles:
O=C(O)C[C@@](O)(CC(=O)OCc1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)C(=O)OAglycone:
O=C(O)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 460.39 | Num_heavy_atoms: | 32 |
| TPSA: | 220.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD40425
Formula: C13H14O8
Smiles:
O=C(O)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 141.36 | NumAromaticRings: | 1 |
