Glycoside
GD130819
Name:
4-(cyanomethylidene)-2,3-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl benzoateFormula:
C21H25O10NSmiles:
N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)c2ccccc2)C(O)C1OAglycone:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.43 | Num_heavy_atoms: | 32 |
| TPSA: | 189.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD53004
Formula: C15H15O5N
Smiles:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(O)C1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 289.29 | Num_heavy_atoms: | 21 |
| TPSA: | 110.78 | NumAromaticRings: | 1 |
