Glycoside
GD156635
Name:
4-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-pyran-2-oneFormula:
C20H22O11Smiles:
COc1ccc(C=Cc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)c(=O)o2)cc1OAglycone:
COc1ccc(C=Cc2cc(O)c(O)c(=O)o2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD62002
Formula: C14H12O6
Smiles:
COc1ccc(C=Cc2cc(O)c(O)c(=O)o2)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
