Glycoside
GD116769
Name:
2-{1-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}acetonitrileFormula:
C17H20O6N2Smiles:
COn1c(C2OC(CO)C(O)C(O)C2O)c(CC#N)c2ccccc21Aglycone:
COn1cc(CC#N)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.36 | Num_heavy_atoms: | 25 |
| TPSA: | 128.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD46441
Formula: C11H10ON2
Smiles:
COn1cc(CC#N)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.21 | Num_heavy_atoms: | 14 |
| TPSA: | 37.95 | NumAromaticRings: | 2 |
