Glycoside
GD133638
Name:
[3,4,5-tris(acetyloxy)-6-[(1-cyano-2-methylprop-1-en-1-yl)oxy]oxan-2-yl]methyl acetateFormula:
C19H25O10NSmiles:
CC(=O)OCC1OC(OC(C#N)=C(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(C)=C(O)C#N.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.41 | Num_heavy_atoms: | 30 |
| TPSA: | 147.45 | 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 |
AD54078
Formula: C5H7ON
Smiles:
CC(C)=C(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
