Glycoside
GD123854
Name:
2-phenyl-3-[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]propanenitrileFormula:
C21H29O10NSmiles:
N#CC(CC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
CC(C#N)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.46 | Num_heavy_atoms: | 32 |
| TPSA: | 193.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD50005
Formula: C9H9N
Smiles:
CC(C#N)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.18 | Num_heavy_atoms: | 10 |
| TPSA: | 23.79 | NumAromaticRings: | 1 |
