Glycoside
GD116701
Name:
Retusin 7-O-NeohesperidosideFormula:
C28H32O14Smiles:
COc1ccc(-c2coc3c(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)ccc3c2=O)cc1Aglycone:
COc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD46391
Formula: C16H12O5
Smiles:
COc1ccc(-c2coc3c(O)c(O)ccc3c2=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 |
