Glycoside
GD133601
Name:
1-isothiocyanatodecane-4,5,6,7-tetrolFormula:
C11H21O4NSSmiles:
CCCC(O)C(O)C(O)C(O)CCCN=C=SAglycone:
CCCN=C=SSugarmoiety:
CCCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 263.36 | Num_heavy_atoms: | 17 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD54067
Formula: C4H7NS
Smiles:
CCCN=C=S| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 101.17 | Num_heavy_atoms: | 6 |
| TPSA: | 12.36 | NumAromaticRings: | 0 |
