Glycoside
GD026436
Name:
2-{4-[(3-{[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C33H42O19Smiles:
COc1cc(O)c2c(c1)O[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)c(OC)c1)CC2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)CC2=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(COC3OCC(O)(CO)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 742.68 | Num_heavy_atoms: | 52 |
| TPSA: | 282.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD17427
Formula: C17H16O6
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)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 |
