21-Hydroxysycophantine
AlkaPlorer ID: AK091392
Synonym: ''
IUPAC Name: (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]oxyoxan-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-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: C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2CO
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/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41-,42-,43-,44+,45+,46+,47-,48+,49+,50-/m1/s1
InChIKey: AAXCNACZLXEEAS-OOFGJGNSSA-N
Reference
Steroidal alkaloids from Solanum sycophanta
PubChem CID: 102064907
LOTUS: LTS0265280
SuperNatural Ⅲ: SN0000679-02
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 |
|---|