Glycoside
GD149387
Name:
Retusin 8-O-ArabinosideFormula:
C21H20O9Smiles:
COc1ccc(-c2coc3c(OC4OCC(O)C(O)C4O)c(O)ccc3c2=O)cc1Aglycone:
COc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 138.82 | 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 |
