Glycoside
GD157672
Name:
6-{[2-cyano-2-(propan-2-ylidene)acetyl]oxy}-2,3,4,5-tetrahydroxyhexyl 2-cyano-3-methylbut-2-enoateFormula:
C18H24O8N2Smiles:
CC(C)=C(C#N)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(C#N)=C(C)CAglycone:
CC(C)=C(C#N)C=O.CC(C)=C(C#N)C=OSugarmoiety:
OOCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 181.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD61386
Formula: C6H7ON
Smiles:
CC(C)=C(C#N)C=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 40.86 | NumAromaticRings: | 0 |
