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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5R)-2-{[(2R,3R,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy]-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}o

AlkaPlorer ID: AK245376

Synonym: None

IUPAC Name: (2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol

Structure

SMILES: C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[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/C43H71NO15/c1-19-7-12-43(44-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)55-40-37(58-39-35(52)32(49)27(47)18-54-39)36(33(50)29(16-45)56-40)57-38-34(51)31(48)26(46)17-53-38/h19-40,44-52H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43-/m0/s1

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InChIKey: DTLKWZKUAHYQGX-XWPKWBKVSA-N

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Source

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

Properties Information

Molecule Weight: 842.033

TPSA？: 238.48

MolLogP？: 0.117600000000007

Number of H-Donors: 9

Number of H-Acceptors: 16

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information