Spirosolan-3-ol; (3β,5α,22R,25R)-form, 3-O-[β-D-Xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside]
AlkaPlorer ID: AK314048
Synonym: Solalyratine B
IUPAC Name: 2-[2-[4,5-dihydroxy-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)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChI: InChI=1S/C44H73NO16/c1-19-7-12-44(45-15-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-36(54)34(52)37(29(17-47)58-40)59-41-38(33(51)32(50)28(16-46)57-41)60-39-35(53)31(49)26(48)18-55-39/h19-41,45-54H,5-18H2,1-4H3
InChIKey: DFCORVATSXFPKC-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum lyratum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 872.0590000000001
TPSA？: 258.71
MolLogP？: -0.5214999999999919
Number of H-Donors: 10
Number of H-Acceptors: 17
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|