Glycoside
GD008990
Name:
7-{[6-({[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C32H38O18Smiles:
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
OCC1(O)COC(OCC2(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 710.64 | Num_heavy_atoms: | 50 |
| TPSA: | 276.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD01905
Formula: C16H12O5
Smiles:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1| 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 |
