(2R,3S,4R,5R,6S)-2-{[(2S,3R,4S,5S,6S)-4,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
AlkaPlorer ID: AK155825
Synonym: None
IUPAC Name: (2R,3S,4R,5R,6S)-2-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChI: InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-35-33(46)31(44)34(20(3)47-35)50-36-32(45)30(43)29(42)27(17-41)49-36/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27+,28+,29+,30-,31+,32+,33+,34+,35-,36-,37+,38+,39-/m1/s1
InChIKey: CZIQGDNXBORUHU-TYHFFTHXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceratopetalum apetalum | Ceratopetalum | Cunoniaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Nephroma laevigatum | Nephroma | Nephromataceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
| Eremosparton flaccidum | Eremosparton | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 721.9289999999999
TPSA？: 179.56
MolLogP？: 1.9629000000000016
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|