Glycoside
GD127204
Name:
2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrileFormula:
C15H19O7NSmiles:
COc1cc(CC#N)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC#N)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 132.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD45584
Formula: C9H9O2N
Smiles:
COc1cc(CC#N)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 53.25 | NumAromaticRings: | 1 |
