Spirosolan-3-ol; (3β,5α,22S,25S)-form, O-[β-D-Xylopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranoside]
AlkaPlorer ID: AK314056
Synonym: Polyanine
IUPAC Name: 2-[3-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-4-yl]oxyoxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChI: InChI=1S/C43H71NO15/c1-19-7-12-43(44-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)55-40-37(58-39-35(52)32(49)27(47)18-54-39)36(33(50)29(16-45)56-40)57-38-34(51)31(48)26(46)17-53-38/h19-40,44-52H,5-18H2,1-4H3
InChIKey: DTLKWZKUAHYQGX-UHFFFAOYSA-N
Reference
Solanum‐Alkaloide, XXXVII. Über die Alkaloidglykoside von Solanum polyadenium Greenm.
PubChem CID: 162994592
LOTUS: LTS0105601
COCONUT: CNP0267825.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum polyadenium | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 842.033
TPSA？: 238.48
MolLogP？: 0.117600000000007
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|