UNPD157038
AlkaPlorer ID: AK255422
Synonym: None
IUPAC Name: 3-hydroxy-3-methyl-N-sulfo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutan-1-imine oxide
Structure
SMILES: CC(C)(O)C/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O
InChI: InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12(18)24(19,20)21)23-10-9(16)8(15)7(14)5(4-13)22-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,19,20,21)/b12-6-/t5-,7-,8+,9-,10+/m1/s1
InChIKey: GGHLCSITQGZBES-YZTFLWGASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celastrus hypoleucus | Celastrus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.4200000000001
TPSA？: 190.82
MolLogP？: -2.6078999999999986
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|