Glycoside
GD135439
Name:
2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylbutanenitrileFormula:
C16H27O10NSmiles:
CCC(C)(C#N)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CCC(C)(O)C#NSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 393.39 | Num_heavy_atoms: | 27 |
| TPSA: | 182.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD25066
Formula: C5H9ON
Smiles:
CCC(C)(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
