Glycoside
GD030557
Name:
NoneFormula:
C13H26O6N2SSmiles:
NCCCCCCS[C@@H]1O[C@H](COC(N)=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(N)=O.NCCCCCCSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 338.43 | Num_heavy_atoms: | 22 |
| TPSA: | 148.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD00724
Formula: C6H15NS
Smiles:
NCCCCCCS| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 133.26 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
AD07653
Formula: C2H5O2N
Smiles:
COC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
