Glycoside
GD122377
Name:
2-hydroxy-4-methoxy-6-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-1,2,3,6-tetrahydropyridine-3-carbonitrileFormula:
C12H16O9N2Smiles:
COC1=CC(O)=NC(O)C1(C#N)OC1OC(O)C(O)C(O)C1OAglycone:
COC1=CC(O)=NC(O)C1(O)C#NSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.27 | Num_heavy_atoms: | 23 |
| TPSA: | 185.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49306
Formula: C7H8O4N2
Smiles:
COC1=CC(O)=NC(O)C1(O)C#N| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 106.07 | NumAromaticRings: | 0 |
