Glycoside
GD121647
Name:
3-(cyanomethylidene)-2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoateFormula:
C19H27O10NSmiles:
CC(C)=CC(=O)OC1C(O)CC(OC2OC(CO)C(O)C(O)C2O)C(=CC#N)C1OAglycone:
CC(C)=CC(=O)OC1C(O)CC(O)C(=CC#N)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 429.42 | Num_heavy_atoms: | 30 |
| TPSA: | 189.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD48977
Formula: C13H17O5N
Smiles:
CC(C)=CC(=O)OC1C(O)CC(O)C(=CC#N)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.28 | Num_heavy_atoms: | 19 |
| TPSA: | 110.78 | NumAromaticRings: | 0 |
