Glycoside
GD125713
Name:
2-{[3-(3,4-dihydroxybenzoyl)-8-hydroxy-1H-isochromen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H22O11Smiles:
O=C(C1=Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2CO1)c1ccc(O)c(O)c1Aglycone:
O=C(C1=Cc2ccc(O)c(O)c2CO1)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD50851
Formula: C16H12O6
Smiles:
O=C(C1=Cc2ccc(O)c(O)c2CO1)c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
