Glycoside
GD147271
Name:
2-methyl-2-[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]propanenitrileFormula:
C16H27O10NSmiles:
CC(C)(C#N)C1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)C#NSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 393.39 | Num_heavy_atoms: | 27 |
| TPSA: | 193.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD47636
Formula: C4H7N
Smiles:
CC(C)C#N| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 69.11 | Num_heavy_atoms: | 5 |
| TPSA: | 23.79 | NumAromaticRings: | 0 |
