Glycoside
GD123152
Name:
2-(hydroxymethyl)-6-[(6-methanesulfinylhexanimidoyl)sulfanyl]oxane-3,4,5-triolFormula:
C13H25O6NS2Smiles:
CS(=O)CCCCCC(=N)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)CCCCCC(=N)SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 355.48 | Num_heavy_atoms: | 22 |
| TPSA: | 131.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD49679
Formula: C7H15ONS2
Smiles:
CS(=O)CCCCCC(=N)S| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 193.34 | Num_heavy_atoms: | 11 |
| TPSA: | 40.92 | NumAromaticRings: | 0 |
