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name Structure Reference Source Properties Activities Metabolism

(2R,3S,4S,5R,6R)-2-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-6-[(1R,2R,4S,5'R,6R,7S,8S,9S,12R,13S,16R)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]i

AlkaPlorer ID: AK079905

Synonym: None

IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R,4S,5'R,6R,7S,8S,9S,12R,13S,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-2-yl]methoxy]oxan-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]7O[C@@H](C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H]7O)[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/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)58-42-37(53)34(50)32(48)29(59-42)18-55-40-38(54)35(51)39(22(4)57-40)60-41-36(52)33(49)31(47)21(3)56-41/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24-,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,40-,41+,42-,43-,44+,45-/m1/s1

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InChIKey: BLRFKPWRSOZROE-WMYSIHBRSA-N

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Source

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

Properties Information

Molecule Weight: 868.0710000000003

TPSA？: 238.48

MolLogP？: 0.8147000000000053

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