Glycoside
GD139426
Name:
(4-cyano-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl)oxidanesulfonic acidFormula:
C12H17O10NSSmiles:
N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(OS(=O)(=O)O)C1Aglycone:
N#CC1(O)C=CC(OS(=O)(=O)O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.33 | Num_heavy_atoms: | 24 |
| TPSA: | 186.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD45121
Formula: C6H7O5NS
Smiles:
N#CC1(O)C=CC(OS(=O)(=O)O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.19 | Num_heavy_atoms: | 13 |
| TPSA: | 107.62 | NumAromaticRings: | 0 |
