Glycoside
GD114704
Name:
2-{4-[2-(3,5-dihydroxy-4-methylphenyl)ethenyl]-2-hydroxyphenoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C26H32O13Smiles:
Cc1c(O)cc(C=Cc2ccc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c(O)c2)cc1OAglycone:
Cc1c(O)cc(C=Cc2ccc(O)c(O)c2)cc1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD45223
Formula: C15H14O4
Smiles:
Cc1c(O)cc(C=Cc2ccc(O)c(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
