Glycoside
GD016033
Name:
5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3-dihydro-2-benzofuran-1-oneFormula:
C14H16O9Smiles:
O=C1OCc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c21Aglycone:
O=C1OCc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.27 | Num_heavy_atoms: | 23 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD11587
Formula: C8H6O4
Smiles:
O=C1OCc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.13 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
