Lobofrutoside
AlkaPlorer ID: AK063151
Synonym: '', 'lobofrutoside', 'Robeneoside A', '(-)-Robeneoside A'
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-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[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C
InChI: InChI=1S/C45H73NO16/c1-18-9-12-45(46-16-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(48)44(26,30)6)58-42-39(61-41-36(54)34(52)32(50)21(4)57-41)37(55)38(28(17-47)59-42)60-40-35(53)33(51)31(49)20(3)56-40/h7,18-21,23-42,46-55H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1
InChIKey: RIVIQJIJCOXJBE-PICKZLQCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum lycocarpum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 884.0700000000002
TPSA？: 258.71
MolLogP？: -0.2144999999999919
Number of H-Donors: 10
Number of H-Acceptors: 17
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|