Glycoside
GD131750
Name:
2-(3,4-dihydroxyphenyl)-7-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-oneFormula:
C20H20O11Smiles:
O=C1c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2OC1c1ccc(O)c(O)c1Aglycone:
O=C1c2ccc(O)c(O)c2OC1c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD53361
Formula: C14H10O6
Smiles:
O=C1c2ccc(O)c(O)c2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
