Glycoside
GD119028
Name:
4,5-bis(acetyloxy)-6-[4-(cyanomethyl)phenoxy]-2-methyloxan-3-yl acetateFormula:
C20H23O8NSmiles:
CC(=O)OC1C(C)OC(Oc2ccc(CC#N)cc2)C(OC(C)=O)C1OC(C)=OAglycone:
N#CCc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.4 | Num_heavy_atoms: | 29 |
| TPSA: | 121.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD01036
Formula: C8H7ON
Smiles:
N#CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
