Glycoside
GD158351
Name:
2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C21H25O10NSmiles:
COc1cc(C=CC(=O)OCC(C#N)=CCOC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)OCC(C#N)=CCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.43 | Num_heavy_atoms: | 32 |
| TPSA: | 178.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD62515
Formula: C15H15O5N
Smiles:
COc1cc(C=CC(=O)OCC(C#N)=CCO)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 289.29 | Num_heavy_atoms: | 21 |
| TPSA: | 99.78 | NumAromaticRings: | 1 |
