Glycoside
GD118465
Name:
4-Hydroxyphenylacetic Acid; Nitrile, O-[β-D-Glucopyranosyl-(1->3)-α-L-Rhamnopyranoside]Formula:
C20H27O10NSmiles:
CC1OC(Oc2ccc(CC#N)cc2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
N#CCc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.43 | Num_heavy_atoms: | 31 |
| TPSA: | 182.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD01036
Formula: C8H7ON
Smiles:
N#CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
