Glycoside
GD129444
Name:
2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-1,2,3,6-tetrahydropyridine-3-carbonitrileFormula:
C13H18O9N2Smiles:
COC1=CC(=O)N(C)C(O)C1(C#N)OC1OC(O)C(O)C(O)C1OAglycone:
COC1=CC(=O)N(C)C(O)C1(O)C#NSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 24 |
| TPSA: | 172.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD20934
Formula: C8H10O4N2
Smiles:
COC1=CC(=O)N(C)C(O)C1(O)C#N| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.18 | Num_heavy_atoms: | 14 |
| TPSA: | 93.79 | NumAromaticRings: | 0 |
