Glycoside
GD124010
Name:
GlucoraphaninFormula:
C12H23O10NS3Smiles:
CS(=O)CCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)CCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 437.51 | Num_heavy_atoms: | 26 |
| TPSA: | 183.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD46961
Formula: C6H13O5NS3
Smiles:
CS(=O)CCCCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.37 | Num_heavy_atoms: | 15 |
| TPSA: | 93.03 | NumAromaticRings: | 0 |
