2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosane-6,2'-piperidin]-18-eneoxy}oxane-3,4-diol
AlkaPlorer ID: AK012697
Synonym: None
IUPAC Name: 2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxane-3,4-diol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6CC(O)C(O)C(CO)O6)CCC5(C)C4CCC3(C)C1C2C
InChI: InChI=1S/C33H53NO6/c1-18-7-12-33(34-16-18)19(2)29-26(40-33)14-24-22-6-5-20-13-21(38-28-15-25(36)30(37)27(17-35)39-28)8-10-31(20,3)23(22)9-11-32(24,29)4/h5,18-19,21-30,34-37H,6-17H2,1-4H3
InChIKey: UEDMJBOBNNQDSG-UHFFFAOYSA-N
Reference
<b>A novel glycosidic steroidal alkaloid from <i>Solanum aculeastrum</i></b>
PubChem CID: 163089255
LOTUS: LTS0265887
COCONUT: CNP0406326
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum aculeastrum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 559.7880000000004
TPSA？: 100.41
MolLogP？: 4.1403000000000025
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|