Glycoside
GD139124
Name:
8-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](hydroxy)methyl}-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C21H20O9Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C(O)C3OC(CO)C(O)C3O)c(O)ccc12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(CO)c(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD56106
Formula: C16H12O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(CO)c(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
