Glycoside
GD030045
Name:
(2S)-5,4'-Dihydroxy-7,3'-Dimethoxyflavanone 4'-Apiosyl-(1->2)-GlucosideFormula:
C28H34O15Smiles:
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]3O)c(OC)c1)CC2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)CC2=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 223.29 | 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 |
