Solamargine
AlkaPlorer ID: AK000115
Synonym: '', 'beta-Solamarine', 'Solamargine', '?-Solanigrine'
IUPAC Name: (2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,9S,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]oxy-5-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3[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)C4CC[C@]3(C)C1C2C
InChI: InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19?,20?,21-,22-,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: MBWUSSKCCUMJHO-DFEGVTMYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum dulcamara | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 868.071
TPSA？: 238.48
MolLogP？: 0.8147000000000062
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|