Glycoside
GD122389
Name:
5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-enenitrileFormula:
C11H17O6NSmiles:
N#CC=CCCOC1OC(CO)C(O)C(O)C1OAglycone:
N#CC=CCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 259.26 | Num_heavy_atoms: | 18 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD49314
Formula: C5H7ON
Smiles:
N#CC=CCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
