Glycoside
GD069845
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylateFormula:
C18H22O8Smiles:
C=C(C)[C@@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1Aglycone:
C=C(C)C1Cc2cc(C(=O)O)ccc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD33091
Formula: C12H12O3
Smiles:
C=C(C)C1Cc2cc(C(=O)O)ccc2O1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.22 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
