Glycoside
GD146399
Name:
3,3',4,4',5,5'-hexahydroxy-2'-[(6-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy]-6'-(hydroxymethyl)-[2,2'-bioxane]-6-carboxylic acidFormula:
C28H30O16Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC2(C3OC(C(=O)O)C(O)C(O)C3O)OC(CO)C(O)C(O)C2O)c1OAglycone:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OSugarmoiety:
O=C(O)C1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 266.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD47355
Formula: C16H12O5
Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
