Spirosol-5-en-3-ol; (3β,16β,22R,25R)-form, 3-O-[α-L-Rhamnopyranosyl-(1→3)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside]
AlkaPlorer ID: AK314094
Synonym: Solanelagnine
IUPAC Name: 2-[5-hydroxy-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)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(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)57-42-37(54)39(60-41-36(53)34(51)32(49)22(4)56-41)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
InChIKey: NARKEQGEDLXCJX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum elaeagnifolium | 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 |
|---|