Glycoside
GD024887
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxan-4-yl benzoateFormula:
C20H22O8Smiles:
O=C(O[C@@H]1[C@H](O)[C@H](Oc2ccccc2CO)O[C@H](CO)[C@H]1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD05140
Formula: C7H8O2
Smiles:
OCc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
