Glycoside
GD126436
Name:
2-{3-hydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetonitrileFormula:
C14H17O6NSmiles:
CC1OC(Oc2ccc(CC#N)cc2O)C(O)C(O)C1OAglycone:
N#CCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.29 | Num_heavy_atoms: | 21 |
| TPSA: | 123.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD51159
Formula: C8H7O2N
Smiles:
N#CCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
