Glycoside
GD139087
Name:
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C22H22O10Smiles:
COc1c(C2OC(CO)C(O)C(O)C2O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12Aglycone:
COc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12Sugarmoiety:
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
AD01046
Formula: C16H12O5
Smiles:
COc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12| 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 |
