Glycoside
GD031936
Name:
NeohesperidinFormula:
C28H34O15Smiles:
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4OC4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03897
Formula: C16H14O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
