Glycoside
GD139212
Name:
3-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-2-enenitrileFormula:
C16H25O10NSmiles:
CC(C)=C(C#N)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)=C(O)C#NSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.37 | Num_heavy_atoms: | 27 |
| TPSA: | 182.09 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
