Glycoside
GD135467
Name:
2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 4-hydroxybenzoateFormula:
C18H21O9NSmiles:
N#CC(=CCOC1OC(CO)C(O)C(O)C1O)COC(=O)c1ccc(O)cc1Aglycone:
N#CC(=CCO)COC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.36 | Num_heavy_atoms: | 28 |
| TPSA: | 169.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD54774
Formula: C12H11O4N
Smiles:
N#CC(=CCO)COC(=O)c1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.22 | Num_heavy_atoms: | 17 |
| TPSA: | 90.55 | NumAromaticRings: | 1 |
