Spirosol-5-en-3-ol; (3β,16β,22R,25R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→3)-[α-L-rhamnopyranosyl-(1→2)]-β-D-galactopyranoside]
AlkaPlorer ID: AK314084
Synonym: Isosolasuaveoline, Solashabanine
IUPAC Name: 2-[5-hydroxy-6-(hydroxymethyl)-2-(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-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChI: InChI=1S/C51H83NO21/c1-20-8-13-51(52-16-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-46-41(63)37(59)33(55)22(3)66-46)43(36(58)30(18-54)69-48)71-47-42(64)39(61)35(57)31(70-47)19-65-45-40(62)38(60)34(56)29(17-53)68-45/h6,20-22,24-48,52-64H,7-19H2,1-5H3
InChIKey: MIWWXVRRXZVTMU-UHFFFAOYSA-N
Reference
13C NMR spectroscopy of solasodine glycosides from Solanum laciniatum
PubChem CID: 73796893
LOTUS: LTS0189340
COCONUT: CNP0156786.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum aviculare | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Solanum laciniatum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Solanum suaveolens | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1046.2110000000005
TPSA？: 337.86000000000007
MolLogP？: -2.3886999999999787
Number of H-Donors: 13
Number of H-Acceptors: 22
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|