Glycoside
GD152975
Name:
2-(4-{[6-(hydroxymethyl)-6'-methyl-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}phenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O14Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(OC3(C4OC(C)C(O)C(O)C4O)OC(CO)C(O)C(O)C3O)cc1)CC2=OAglycone:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
CC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.59 | Num_heavy_atoms: | 43 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD47852
Formula: C17H16O5
Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
