Glycoside
GD012506
Name:
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C22H22O10Smiles:
COc1cc(-c2coc3c([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)ccc3c2=O)ccc1OAglycone:
COc1cc(-c2coc3cc(O)ccc3c2=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD07405
Formula: C16H12O5
Smiles:
COc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
