Glycoside
GD135272
Name:
2-(2,3,4-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrileFormula:
C14H21O9NSmiles:
N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(O)C(O)C1OAglycone:
N#CC=C1C(O)CC(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.32 | Num_heavy_atoms: | 24 |
| TPSA: | 183.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD48351
Formula: C8H11O4N
Smiles:
N#CC=C1C(O)CC(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 185.18 | Num_heavy_atoms: | 13 |
| TPSA: | 104.71 | NumAromaticRings: | 0 |
