(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R,4R,5'R,6R,7R,8S,9S,12S,13R,16R)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxane-3,4,5-triol
AlkaPlorer ID: AK571296
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5'R,6R,7S,9S,12S,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]oxyoxane-3,4,5-triol
Structure
SMILES: C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)C1[C@@H]2C
InChI: InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23?,24+,25-,26?,27-,28+,29-,30-,31+,32+,33-/m1/s1
InChIKey: XMLLJGHZPHTUKK-XARICSCJSA-N
Reference
Bioactive steroidal glycosides from Solanum torvum
PubChem CID: 145865139
LOTUS: LTS0050886
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum umbelliferum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 575.7870000000003
TPSA？: 120.64
MolLogP？: 3.1111000000000013
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|