(2S,3S,4R,5R,6S)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[(1R,2S,4R,5'S,6R,7R,8R,9S,12S,13R,16R)-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-4-yl]oxymethyl]oxane-2,3,4,5-tetrol
AlkaPlorer ID: AK521535
Synonym: None
IUPAC Name: (2S,3S,4R,5R,6S)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[(1R,2S,4R,5'S,6R,7R,8R,9S,12S,13R,16R)-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-4-yl]oxymethyl]oxane-2,3,4,5-tetrol
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](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[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)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/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+/m0/s1
InChIKey: SGEKLQMLYWFVFY-CKSWOKIPSA-N
Reference
Two steroidal glycoalkaloids from Solanum arboreum
PubChem CID: 138108074
LOTUS: LTS0128746
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum virginianum | Solanum | Solanaceae | Solanales | 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 |
|---|