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name Structure Reference Source Properties Activities Metabolism

(E)-N-{2-[(8a-{[(3-{[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]carbonyl}-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-6-[({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}ethanimidic acid

AlkaPlorer ID: AK114315

Synonym: None

IUPAC Name: [(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-4-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Structure

SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@](O)(CO[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H]6O)[C@H](O)[C@H](O)[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O

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InChI: InChI=1S/C70H113NO36/c1-27(75)71-38-42(81)49(105-58-46(85)43(82)40(79)32(18-72)100-58)34(22-96-56-47(86)48(31(77)21-94-56)104-57-45(84)39(78)30(76)20-95-57)102-55(38)103-37-12-13-65(6)35(64(37,4)5)11-14-66(7)36(65)10-9-28-29-17-63(2,3)15-16-70(29,52(88)51(87)67(28,66)8)62(91)107-59-50(44(83)41(80)33(19-73)101-59)106-61-54(90)69(93,26-99-61)25-98-60-53(89)68(92,23-74)24-97-60/h9,29-61,72-74,76-90,92-93H,10-26H2,1-8H3,(H,71,75)/t29-,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-,58-,59-,60-,61-,65-,66+,67-,68+,69+,70+/m0/s1

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InChIKey: OZGFMVKUPIWDJL-GYCCRRPMSA-N

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Reference

PubChem CID: 72737016

NPASS: NPC21608

Source

Species Genus Family Order Class Phylum Kingdom Domain
Nematolepis phebalioides Nematolepis Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Coprosma areolata Coprosma Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gmelina asiatica Gmelina Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aglaia formosana Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cylindrospermum muscicola Cylindrospermum Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Magnolia montana Magnolia Magnoliaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bryum argenteum Bryum Bryaceae Bryales Bryopsida Streptophyta Viridiplantae Eukaryota
Viguiera linearis Viguiera Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Entada phaseoloides Entada Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pangium edule Pangium Achariaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aspergillus desertorum Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Solidago flexicaulis Solidago Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Umbilicaria esculenta Umbilicaria Umbilicariaceae Umbilicariales Lecanoromycetes Ascomycota Fungi Eukaryota
Senecio adenophyllus Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sarcophyton elegans Sarcophyton Alcyoniidae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Jackiella javanica Jackiella Jackiellaceae Jungermanniales Jungermanniopsida Streptophyta Viridiplantae Eukaryota
Callicarpa japonica Callicarpa Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trichophyton mentagrophytes Trichophyton Arthrodermataceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota
Cladrastis platycarpa Cladrastis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trollius chinensis Trollius Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vigna mungo Vigna Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helichrysum cephaloideum Helichrysum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sterculia foetida Sterculia Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oreopteris quelpaertensis Oreopteris Thelypteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Gambierdiscus toxicus Gambierdiscus Pyrocystaceae Gonyaulacales Dinophyceae None None Eukaryota
Ligularia cymbulifera Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Diplodia natalensis Diplodia Botryosphaeriaceae Botryosphaeriales Dothideomycetes Ascomycota Fungi Eukaryota
Hesperis matronalis Hesperis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypericum balearicum Hypericum Hypericaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia amygdaloides Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aulosira fertilissima Aulosira Fortieaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Rhizobium leguminosarum Rhizobium Rhizobiaceae Hyphomicrobiales Alphaproteobacteria Pseudomonadota None Bacteria
Cortinarius orellanus Cortinarius Cortinariaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1544.6450000000011

TPSA？: 583.4800000000002

MolLogP？: -7.077400000000029

Number of H-Donors: 21

Number of H-Acceptors: 36

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information