Glycoside
GD141999
Name:
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(6'-methyl-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl)oxy]-4H-chromen-4-oneFormula:
C35H44O21Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2(C3OC(C)C(O)C(O)C3O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)(C3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 800.72 | Num_heavy_atoms: | 56 |
| TPSA: | 337.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD09324
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
