Glycoside
GD128525
Name:
(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl benzoateFormula:
C22H26O11Smiles:
O=C(OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccccc1Aglycone:
O=C(OCC12OC1C(O)C1C=COC(O)C12)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 167.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD52057
Formula: C16H16O6
Smiles:
O=C(OCC12OC1C(O)C1C=COC(O)C12)c1ccccc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 88.52 | NumAromaticRings: | 1 |
