Properties
Canonical smiles
C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
Chemical formula
C₁₅H₂₂O₉
Found in taxon
Buddleja asiatica, Buddleja curviflora, Buddleja davidii, Buddleja globosa, Buddleja alternifolia, Buddleja auriculata, Verbascum bombyciferum, Verbascum lagurus, Verbascum phlomoides, Verbascum niveum, Verbascum sinuatum, Verbascum songaricum, Verbascum speciosum, Verbascum cheiranthifolium, Verbascum leucophyllum, Verbascum gnaphalodes, Verbascum olympicum, Verbascum pulverulentum, Verbascum lychnitis, Verbascum mallophorum, Dark Mullein, Verbascum georgicum, Verbascum ovalifolium, Verbascum spectabile, Verbascum pyramidatum, Verbascum oreophilum, Verbascum blattaria, Purple mullein, Verbascum aphentulium, Verbascum capitis-viridis, Verbascum roripifolium, Verbascum boerhavii, Verbascum undulatum, Melampyrum arvense, Pedicularis palustris, Scrophularia scorodonia, Scrophularia umbrosa, Aragoa cundinamarcensis, Eucommia ulmoides, Oreosolen wattii, Paederota lutea, Plantago afra, Plantago amplexicaulis, Plantago arborescens, Plantago atrata, Plantago australis, Plantago cretica, Plantago hookeriana, Plantago lundborgii, Plantago maritima, Plantago ovata, Plantago patagonica, Plantago raoulii, Plantago subulata, Plantago uniflora, Plantago webbii, Vitex agnus-castus, Verbascum dentifolium, Angelonia integerrima, Aucuba japonica, Bartsia alpina, Besseya alpina, Buddleja albiflora, Buddleja cordata, Buddleja parviflora, Buddleja sessiliflora, Libidibia coriaria, Caesalpinia pulcherrima, Callitriche stagnalis, Campylanthus glaber, Campylanthus salsoloides, Castilleja minor var. exilis, Castilleja hispida, Castilleja miniata, Castilleja occidentalis, Castilleja rhexifolia, Castilleja sulphurea, Castilleja tenuiflora, Clerodendrum thomsoniae, Cordylanthus capitatus, Cordylanthus kingii, Cordylanthus parviflorus, Cordylanthus ramosus, Cordylanthus tenuis, Cordylanthus wrightii, Crescentia cujete, Cruciata taurica, Euphrasia pectinata, Euphydryas cynthia, Gentiana kurroo, Globularia cordifolia, Globularia dumulosa, Globularia nana, Globularia nudicaulis, Globularia orientalis, Hippuris vulgaris, Lagotis brevituba, Lagotis integrifolia, Lagotis stolonifera, Lathraea squamaria, Linaria macroura, Linaria vulgaris, Melampyrum chlorostachyum, Melampyrum cristatum, Monochasma savatieri, Odontites vernus, Parentucellia viscosa, Paulownia tomentosa, Pedicularis artselaeri, Pedicularis bracteosa, Pedicularis chinensis, Pedicularis condensata, Pedicularis crenulata, Pedicularis groenlandica, Pedicularis kansuensis, Pedicularis muscicola, Pedicularis nordmanniana, Pedicularis plicata, Pedicularis procera, Pedicularis racemosa, Pedicularis semitorta, Pedicularis striata, Pedicularis verticillata, Penstemon auriberbis, Penstemon barrettiae, Penstemon serrulatus, Penstemon ovatus, Penstemon rydbergii, Phtheirospermum japonicum, Plantago bellardii, Plantago reniformis, Premna microphylla, Rehmannia glutinosa, Scrophularia canina, Scrophularia cryptophila, Scrophularia ilwensis, Scrophularia, Scrophularia ningpoensis, Scrophularia racemosa, Stachys palustris, Stachys recta, Jamesbrittenia dissecta, Utricularia australis, Verbascum macrurum, Verbascum spinosum, Verbascum wiedemannianum, Verbena officinalis, Veronica alpina, blue water-speedwell, Veronica filiformis, Veronica kellereri, Veronica longifolia, Veronica officinalis, Veronica orientalis, Vitex gardneriana, Penstemon barbatus, Veronica lavaudiana, Stachys officinalis, Antirrhinum majus, Aureolaria flava, Euphrasia genargentea, Euphrasia salisburgensis, Globularia bisnagarica, Pedicularis longiflora, Pedicularis rex, Verbascum pyroliforme, Verbascum lasianthum, Veronica austriaca, ivy-leaved speedwell, Veronica pulvinaris, Veronica thomsonii, Vitex mollis, Rhinanthus minor, Rhinanthus major, Alectra arvensis, Alectra sessiliflora, Scrophularia oblongifolia, Buddleja brasiliensis, Verbascum chaixii, Plantago lanceolata, Plantago argentea, Plantago media, Plantago major, Plantago alpina, Plantago altissima, Veronica bellidioides, Plantago myosuros, Plantago cornuti, Veronica cymbalaria, Plantago lagopus, Veronica persica, Plantago rhodosperma, Rhinanthus angustifolius, Plantago holosteum, Lamium album, Plantago unibracteata, Castilleja septentrionalis, Euphrasia nemorosa, Pedicularis grayi, denseflower mullein, Verbascum thapsus, Globularia trichosantha, Littorella uniflora, Scrophulariaceae, Scrophularia alpestris
Isomeric smiles
C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Mass
+346.126382
Stereoisomer of
(2S,3R,4S,5R,6R)-2-[[(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-[[(1S,4aS,5S,7aR)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5R,6R)-2-[[(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2R,3S,4R,5R,6S)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2R,3R,4R,5R,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 6-Epiaucubin, (2S,3R,4S,5S,6R)-2-[[(1R,4aS,5S,7aR)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
External References (26)
Cab id
50646
Cas registry number
479-98-1
Chebi id
69796
Chembl id
CHEMBL514882
Chemspider id
82585
Dsstox compound identifier
DTXCID501391687
Dsstox substance id
DTXSID60963965
Ec number
207-540-8
Echa substance infocard id
100.006.856
Freebase id
/m/064lckb
Human metabolome database id
HMDB0036562
Inchi
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
Inchikey
RJWJHRPNHPHBRN-FKVJWERZSA-N
Knapsack id
C00003073
Lipid maps id
LMPR0102070006
Massbank accession id
MSBNK-Univ_Toyama-TY000074
Microsoft academic id (discontinued)
2779632648
Nalt id
13809
Openalex id
C2779632648
Probes and drugs id
PD052451
Pubchem cid
91458
Sciencedirect topic id
agricultural-and-biological-sciences/aucubin
Splash
splash10-000t-3940000000-c3c545a5f128e5cf3be5, splash10-014i-0009000000-8845dac87a5f7add197a, splash10-007n-2900000000-54c29d44c218d72dff89
Surechembl id
381032
Unichem compound id
291478
Unii
2G52GS8UML