Glycoside
GD136969
Name:
2-(2-hydroxy-4-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrileFormula:
C15H19O8NSmiles:
COc1cc(O)c(CC#N)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c(CC#N)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 341.32 | Num_heavy_atoms: | 24 |
| TPSA: | 152.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD55353
Formula: C9H9O3N
Smiles:
COc1cc(O)c(CC#N)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 73.48 | NumAromaticRings: | 1 |
