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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-y

AlkaPlorer ID: AK359555

Synonym: None

IUPAC Name: (2S,3S,4S,5S,6S)-2-[(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S,4R,5'R,6S,7R,8S,9R,12R,13R,16S)-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-5-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-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](O[C@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[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]2C

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InChI: InChI=1S/C50H81NO19/c1-20-9-14-50(51-17-20)21(2)32-30(70-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,32)6)65-47-43(69-46-40(61)37(58)34(55)23(4)64-46)42(68-44-38(59)35(56)29(53)19-62-44)41(31(18-52)66-47)67-45-39(60)36(57)33(54)22(3)63-45/h7,20-23,25-47,51-61H,8-19H2,1-6H3/t20-,21-,22+,23-,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

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InChIKey: CUGWSRFIUQZYLJ-KBKBMEKMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Solanum arundo Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1000.186

TPSA？: 297.4

MolLogP？: -0.7219999999999887

Number of H-Donors: 11

Number of H-Acceptors: 20

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information