Glycoside
GD126227
Name:
7-(Methylthio)HeptyldesulfoglucosinolateFormula:
C15H29O6NS2Smiles:
CSCCCCCCCC(=NO)SC1OC(CO)C(O)C(O)C1OAglycone:
CSCCCCCCCC(S)=NOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 383.53 | Num_heavy_atoms: | 24 |
| TPSA: | 122.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD51061
Formula: C9H19ONS2
Smiles:
CSCCCCCCCC(S)=NO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 221.39 | Num_heavy_atoms: | 13 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
