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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4S,5R,6R)-3-hydroxy-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,3

AlkaPlorer ID: AK259806

Synonym: None

IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,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]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](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[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/C57H93NO26/c1-21-8-13-57(58-16-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)76-54-49(83-51-45(72)40(67)35(62)23(3)75-51)47(39(66)32(19-61)79-54)81-53-48(43(70)37(64)31(18-60)78-53)82-52-46(73)42(69)38(65)33(80-52)20-74-50-44(71)41(68)36(63)30(17-59)77-50/h6,21-23,25-54,58-73H,7-20H2,1-5H3/t21-,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-,51+,52+,53+,54-,55+,56+,57-/m1/s1

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InChIKey: RLXGKNZMOLQHJY-OOWBFHKZSA-N

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Source

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

Properties Information

Molecule Weight: 1208.3520000000003

TPSA？: 417.0100000000001

MolLogP？: -4.564499999999993

Number of H-Donors: 16

Number of H-Acceptors: 27

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information