Glycoside
GD155428
Name:
5-hydroxy-7,8-dimethoxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H26O11Smiles:
COc1cc(O)c2c(c1OC)OC(c1ccccc1OC1OC(CO)C(O)C(O)C1O)CC2=OAglycone:
COc1cc(O)c2c(c1OC)OC(c1ccccc1O)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD12023
Formula: C17H16O6
Smiles:
COc1cc(O)c2c(c1OC)OC(c1ccccc1O)CC2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
