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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,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]oxan-3-yl]oxy}-5-hydro

AlkaPlorer ID: AK083171

Synonym: None

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,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]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-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]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[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/C51H85NO22/c1-20-7-12-51(52-15-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-45-41(65)38(62)42(31(19-56)70-45)71-48-44(73-47-40(64)37(61)34(58)29(17-54)68-47)43(35(59)30(18-55)69-48)72-46-39(63)36(60)33(57)28(16-53)67-46/h20-48,52-65H,5-19H2,1-4H3/t20-,21-,22-,23-,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-,51-/m0/s1

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InChIKey: QEZIZZSOADJKHZ-VPDOQVDFSA-N

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Source

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

Properties Information

Molecule Weight: 1064.2260000000003

TPSA？: 358.09000000000003

MolLogP？: -3.336399999999986

Number of H-Donors: 14

Number of H-Acceptors: 23

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information