 |
| Ligand Name:
(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol |
| HET ID: 6BV |
PubChem:
446426
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1 |
| Molecular Formula: C12H22O10S |
Mol. Weight: 358.3621 |
Heavy Atoms: 23 |
| Charge: 0 |
Is Chiral: True |
logP: -4.6806 |
| HBD: 8 |
HBA: 11 |
TPSA: 205.6 |
| #Bonds: 34 |
#Rotatable Bonds: 4 |
Shape Complexity: 1.0 |
| Stereocomplexity: 0.8333333 |
Ligand Type: Small Molecule |