Glycoside
GD149066
Name:
2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 4-hydroxy-3-methoxybenzoateFormula:
C19H23O10NSmiles:
COc1cc(C(=O)OCC(C#N)=CCOC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)OCC(C#N)=CCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 425.39 | Num_heavy_atoms: | 30 |
| TPSA: | 178.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD59611
Formula: C13H13O5N
Smiles:
COc1cc(C(=O)OCC(C#N)=CCO)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.25 | Num_heavy_atoms: | 19 |
| TPSA: | 99.78 | NumAromaticRings: | 1 |
