Glycoside
GD135512
Name:
5-hydroxy-3-{[6-(hydroxymethyl)-6'-methyl-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneFormula:
C29H34O16Smiles:
COc1cc2oc(-c3ccc(O)cc3)c(OC3(C4OC(C)C(O)C(O)C4O)OC(CO)C(O)C(O)C3O)c(=O)c2c(O)c1OCAglycone:
COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OCSugarmoiety:
CC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00593
Formula: C17H14O7
Smiles:
COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
