(2R,3S,4R,5R,6S)-2-{[(2S,3R,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4R,5'R,6S,7R,8S,9R,12R,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-methyloxane-3,4,5-triol
AlkaPlorer ID: AK011068
Synonym: '?2-Solamargine'
IUPAC Name: (2R,3S,4R,5R,6S)-2-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4R,5'R,6S,7R,8S,9R,12R,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-methyloxane-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](CO)[C@H](O[C@H]7O[C@@H](C)[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)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/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: KRQDMAXNTWLTDZ-ZKSQUSDKSA-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 |
|---|