Glycoside
GD149709
Name:
2',3',4'-trihydroxy-3-(4-hydroxyphenyl)-[2,2'-bioxolan]-5-oneFormula:
C14H16O7Smiles:
O=C1CC(c2ccc(O)cc2)C(C2(O)OCC(O)C2O)O1Aglycone:
O=C1CC(c2ccc(O)cc2)CO1Sugarmoiety:
OC1COC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD49270
Formula: C10H10O3
Smiles:
O=C1CC(c2ccc(O)cc2)CO1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
