Spirosol-5-en-3-ol; (3β,16β,22R,25R)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)-[α-L-rhamnopyranosyl-(1→2)]-β-D-galactopyranoside]
AlkaPlorer ID: AK314082
Synonym: Solaradinine
IUPAC Name: 2-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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(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/C57H93NO26/c1-21-8-13-57(58-16-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)76-54-49(83-51-45(72)40(67)35(62)23(3)75-51)47(39(66)32(19-61)79-54)81-53-48(43(70)37(64)31(18-60)78-53)82-52-46(73)42(69)38(65)33(80-52)20-74-50-44(71)41(68)36(63)30(17-59)77-50/h6,21-23,25-54,58-73H,7-20H2,1-5H3
InChIKey: RLXGKNZMOLQHJY-UHFFFAOYSA-N
Reference
13C NMR spectroscopy of solasodine glycosides from Solanum laciniatum
PubChem CID: 73796894
LOTUS: LTS0267516
COCONUT: CNP0114278.1
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 |
Properties Information
Molecule Weight: 1208.3520000000003
TPSA？: 417.0100000000001
MolLogP？: -4.564499999999993
Number of H-Donors: 16
Number of H-Acceptors: 27
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|