Glycoside
GD069871
Name:
[3,5-bis(acetyloxy)-4,4-dicyano-6-methoxyoxan-2-yl]methyl acetateFormula:
C15H18O8N2Smiles:
CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)C(C#N)(C#N)[C@H]1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
COC1OC(O)C(OC(C)=O)C(C#N)(C#N)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.32 | Num_heavy_atoms: | 25 |
| TPSA: | 144.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
