Spirosol-5-en-3-ol; (3β,16β,22R,25R)-form, 3-O-[α-L-Rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside]
AlkaPlorer ID: AK314093
Synonym: Solaradixine
IUPAC Name: 2-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)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)66-48-44(72-45-40(63)37(60)33(56)22(3)65-45)42(36(59)31(19-55)69-48)70-47-43(39(62)35(58)30(18-54)68-47)71-46-41(64)38(61)34(57)29(17-53)67-46/h6,20-22,24-48,52-64H,7-19H2,1-5H3
InChIKey: GIHGNUCHPKDXJW-UHFFFAOYSA-N
Reference
13C NMR spectroscopy of solasodine glycosides from Solanum laciniatum
PubChem CID: 73796892
LOTUS: LTS0040335
COCONUT: CNP0253848.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum laciniatum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Solanum mammosum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1046.2110000000002
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 |
|---|