Glycoside
GD143454
Name:
2-(3,4-dimethoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrileFormula:
C16H21O8NSmiles:
COc1ccc(C(C#N)OC2OC(CO)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(C(O)C#N)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.34 | Num_heavy_atoms: | 25 |
| TPSA: | 141.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD57695
Formula: C10H11O3N
Smiles:
COc1ccc(C(O)C#N)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 193.2 | Num_heavy_atoms: | 14 |
| TPSA: | 62.48 | NumAromaticRings: | 1 |
