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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,2R,5S,7S,10S,11S,14S,15R,17R,20S,23S)-10,14,20-trimethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl]oxy}oxan-3-yl]oxy}-4-{[(2S,3R,4R,

AlkaPlorer ID: AK205767

Synonym: None

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,11S,14S,15R,17R,20S,23S)-10,14,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: C[C@H]1CC[C@@H]2C[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1

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InChI: InChI=1S/C49H81NO20/c1-20-4-6-22-13-27-28(50(22)15-20)14-26-24-7-5-21-12-23(8-10-48(21,2)25(24)9-11-49(26,27)3)63-44-40(62)37(59)41(32(19-54)67-44)68-47-43(70-46-39(61)36(58)33(55)29(16-51)64-46)42(35(57)31(18-53)66-47)69-45-38(60)34(56)30(17-52)65-45/h20-47,51-62H,4-19H2,1-3H3/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-/m0/s1

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InChIKey: LZTYBKHXAMRXFA-PEAKMADDSA-N

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Source

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

Properties Information

Molecule Weight: 1004.1740000000002

TPSA？: 319.84

MolLogP？: -2.57519999999998

Number of H-Donors: 12

Number of H-Acceptors: 21

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information