Glycoside
GD156099
Name:
6-(4-cyanophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H13O7NSmiles:
N#Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1Aglycone:
N#Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.25 | Num_heavy_atoms: | 21 |
| TPSA: | 140.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD12222
Formula: C7H5ON
Smiles:
N#Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.12 | Num_heavy_atoms: | 9 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
