Glycoside
GD132446
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl}-4H-chromen-4-oneFormula:
C22H22O10Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(CC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12Aglycone:
Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 181.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD53628
Formula: C16H12O5
Smiles:
Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
