(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7R,8R,9S,12S,13R,16S)-7-(hydroxymethyl)-5',9,13-trimethyl-5-ox
AlkaPlorer ID: AK328874
Synonym: None
IUPAC Name: 2-[5-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[7-(hydroxymethyl)-5',9,13-trimethylspiro[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(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CO
InChI: InChI=1S/C50H81NO20/c1-20-8-13-50(51-16-20)28(17-52)32-30(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-45-39(61)36(58)33(55)21(2)64-45)40(62)41(31(18-53)67-47)68-46-42(37(59)34(56)22(3)65-46)69-44-38(60)35(57)29(54)19-63-44/h6,20-22,24-47,51-62H,7-19H2,1-5H3
InChIKey: AAXCNACZLXEEAS-UHFFFAOYSA-N
Reference
Steroidal alkaloids from Solanum sycophanta
PubChem CID: 163071524
CAS: 188342-01-0
LOTUS: LTS0033286
COCONUT: CNP0366763.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum sycophanta | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1016.1850000000002
TPSA？: 317.63
MolLogP？: -1.7495999999999856
Number of H-Donors: 12
Number of H-Acceptors: 21
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|